SCHEMBL9401700

SCHEMBL9401700

O=C(O)C=Cc1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
TBXAS1 P24557 4/20 0.53
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9507338 1.00 TAAR1 (0.55) TAAR1TBXAS1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL7266355 0.99 TBXAS1 (0.54) TAAR1TBXAS1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL11261045 0.97 TBXAS1 (0.53) TAAR1TBXAS1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL10848541 0.97 TBXAS1 (0.53) TAAR1TBXAS1HDAC8HDAC3HDAC4
SCHEMBL11107735 0.84 CA12 (0.49) TAAR1HDAC8HDAC3HDAC4HDAC1
SCHEMBL10845162 0.83 CA12 (0.55) TAAR1HDAC8HDAC3HDAC4HDAC1
SCHEMBL11260195 0.83 CA12 (0.55) TAAR1HDAC8HDAC3HDAC4HDAC1
SCHEMBL11476379 0.82 NPC1 (0.51) TAAR1HDAC8HDAC3HDAC4HDAC1
SCHEMBL8319084 0.81 TAAR1 (0.43) TAAR1TBXAS1HDAC8HDAC3HDAC4
SCHEMBL7299851 0.80 TAAR1 (0.62) TAAR1LMNACYP2D6KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925869-A REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US claimed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US claimed
JP-55000313-A None JP disclosed
JP-57131769-A None JP disclosed
JP-2215718-A None JP disclosed
JP-2215718-A None JP disclosed
JP-2157221-A None JP disclosed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
JP-H02215718-A DRUG CONTAINING 4-(1-IMIDAZOLYLMETHYL)CINNAMIC ACID AS ACTIVE INGREDIENT ONO PHARMACEUT CO LTD 1990-08-28 JP disclosed
JP-H02215718-A DRUG CONTAINING 4-(1-IMIDAZOLYLMETHYL)CINNAMIC ACID AS ACTIVE INGREDIENT ONO PHARMACEUT CO LTD 1990-08-28 JP disclosed
JP-H02157221-A LIPID MICRO-SPHERE AND REMEDY CONTAINING THE SAME SPHERE FOR ANGIOPATHIA MIZUSHIMA YUTAKA 1990-06-18 JP disclosed
US-4737506-A Anti-arteriosclerotic pyridyl or imidazolyl derivatives of carbonyloxyalkyl hantzsch esters KOWA CO., LTD. (JP) 1988-04-12 US disclosed
US-4607046-A THROMBOXANE SYNTHETASE INHIBITOR KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-08-19 US disclosed
EP-0190364-A1 NOVEL 1,4-DIHIDROPYRIDINE-3,5-DICARBOXYLATE DERIVATIVES KOWA CO. LTD. (JP) 1986-08-13 EP disclosed
EP-0058079-B1 4-(1-IMIDAZOLYLMETHYL)CINNAMIC ACID HYDROCHLORIDE MONOHYDRATE, METHOD OF PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kissei Pharmaceutical Co. Ltd. (JP) 1985-01-23 EP disclosed
EP-0058079-B1 4-(1-IMIDAZOLYLMETHYL)CINNAMIC ACID HYDROCHLORIDE MONOHYDRATE, METHOD OF PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kissei Pharmaceutical Co. Ltd. (JP) 1985-01-23 EP disclosed
EP-0058079-A2 4-(1-Imidazolylmethyl)cinnamic acid hydrochloride monohydrate, method of preparation thereof, and pharmaceutical composition containing same Kissei Pharmaceutical Co. Ltd. (JP) 1982-08-18 EP disclosed
JP-S57131769-A 4-(1-IMIDAZOLYLMETHYL)CINNAMIC ACID HYDROCHLORIDE MONOHYDRATE, ITS PREPARATION AND DRUG CONTAINING THE SAME KISSEI PHARMACEUT CO LTD 1982-08-14 JP disclosed
US-4226878-A ANTIINFLAMMATORY, HYPOTENSIVES, ANTIHISTAMINES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1980-10-07 US disclosed
JP-S55313-A IMIDAZOLE DERIVATIVE KISSEI PHARMACEUT CO LTD 1980-01-05 JP disclosed