SCHEMBL6601609

SCHEMBL6601609

CC(C)NC(=O)C[C@@H]1CCCNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.43
AVPR1A P37288 1/20 0.43
BDKRB1 P46663 1/20 0.39
HTT P42858 1/20 0.38
UGCG Q16739 1/20 0.37
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL6600506 1.00 AVPR2 (0.43) AVPR2AVPR1ABDKRB1HTTUGCG
SCHEMBL27971723 0.82 BCHE (0.39) BDKRB1ALDH1A1SMN1; SMN2BCHE
SCHEMBL6601659 0.82 EGFR (0.48) HTTKDM4EHSD17B10BCHE
SCHEMBL6441669 0.76 MAPK1 (0.40) BDKRB1BCHE
Hydrochloric Acid SCHEMBL29960696 0.76 BCHE (0.38) BCHE
SCHEMBL6244927 0.74 SMN1; SMN2 (0.51) HTTKDM4EALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL29960503 0.72 HTR6 (0.40) BCHE
SCHEMBL8367985 0.72 EGFR (0.45) BDKRB1ALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL5500008 0.71 HSD17B10 (0.41) BDKRB1HSD17B10BCHE
Hydrochloric Acid SCHEMBL29960649 0.70 BCHE (0.39) BCHE

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