SCHEMBL6601659

SCHEMBL6601659

COC(=O)CC1CCCNc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.48
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CACNA1G O43497 3/20 0.38
▸ BCHE P06276 1/20 0.37

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
SCHEMBL6441669 0.86 MAPK1 (0.40) EGFRCACNA1GBCHE
SCHEMBL27971723 0.85 BCHE (0.39) EGFRBCHE
SCHEMBL6612604 0.83 EGFR (0.52) EGFRHTTHSD17B10JAK2
SCHEMBL28775841 0.83 EGFR (0.52) EGFRHTTHSD17B10JAK2
SCHEMBL12070134 0.83 EGFR (0.52) EGFRHTTHSD17B10JAK2
SCHEMBL27739879 0.83 EGFR (0.52) EGFRHTTHSD17B10JAK2
SCHEMBL6601609 0.82 AVPR2 (0.43) HTTHSD17B10KDM4EBCHE
SCHEMBL6600506 0.82 AVPR2 (0.43) HTTHSD17B10KDM4EBCHE
SCHEMBL31686030 0.78 CYP1A2 (0.47) HSD17B10LMNABCHE
SCHEMBL26644922 0.78 CYP1A2 (0.47) HSD17B10LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 — — EP disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 — — US disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 — — EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 — — WO disclosed
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