SCHEMBL10972861

SCHEMBL10972861

CCNC(=O)c1[nH]c(=O)[nH]c1CN1CCC(c2ccccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ OPRL1 P41146 5/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL11256028 0.87 DRD4 (0.43) DRD4BRD4OPRL1KCNH2TRPV1
SCHEMBL10969661 0.87 DRD4 (0.50) DRD4POLBOPRL1KCNH2TRPV1
SCHEMBL11265638 0.79 FABP6 (0.44) DRD4OPRL1KCNH2
SCHEMBL10971590 0.76 POLB (0.45) POLBKCNH2ALDH1A1ABL1RIN1
Hydrochloric Acid SCHEMBL10972048 0.74 KDM4E (0.47) HDAC1DRD2ALDH1A1PARP1
SCHEMBL10970591 0.72 ALDH1A1 (0.47) POLBDRD2ALDH1A1ABL1RIN1
SCHEMBL10967335 0.72 KDM4E (0.48) DRD4DRD2ALDH1A1PARP1
Hydrochloric Acid SCHEMBL10967357 0.72 ALDH1A1 (0.47) POLBDRD2ALDH1A1ABL1RIN1
Hydrochloric Acid SCHEMBL10970332 0.72 LIPG (0.45) DRD2ALDH1A1
Hydrochloric Acid SCHEMBL10970472 0.71 DRD2 (0.48) DRD4POLBDRD2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064706-B1 5-(4-PHENYL-1-PIPERIDINYL)METHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-03 — — EP disclosed
EP-0064706-A1 5-(4-Phenyl-1-piperidinyl)methyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329470-A CORDIOTONIC, HYPOTENSIVE, ANTITHROMBOSIS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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