SCHEMBL10371065

SCHEMBL10371065

Cc1ccc(CN2CCC(Oc3ncccc3C(=O)O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40

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
SCHEMBL10371944 0.91 MAPK1 (0.45) ACHEKDM4ENPC1L3MBTL1SMN1; SMN2
SCHEMBL10372149 0.90 KDM4E (0.47) ACHEKDM4EL3MBTL1HRH1CCR3
SCHEMBL10370515 0.86 ACHE (0.47) ACHEKDM4EL3MBTL1BCHEBACE1
SCHEMBL10371952 0.85 KMT2A (0.43) ACHEHRH1CCR3KCNH2ALDH1A1
SCHEMBL10372974 0.83 MCHR1 (0.48) ACHEKDM4EL3MBTL1SMN1; SMN2BCHE
SCHEMBL10372520 0.81 FFAR1 (0.56) DRD4S1PR1S1PR5
SCHEMBL10370980 0.80 KMT2A (0.47) —
SCHEMBL10564699 0.76 HRH3 (0.44) —
SCHEMBL10368699 0.74 MCHR1 (0.56) KDM4ESMN1; SMN2BCHEKCNH2ALDH1A1
SCHEMBL10372099 0.73 ROCK2 (0.41) KDM4EHRH1CCR3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 — — EP disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 — — US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 — — US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 — — US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 — — US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 — — US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 — — US disclosed
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