SCHEMBL6601746

SCHEMBL6601746

O=C(Cl)c1cccc(C2CCNC2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
KCNH2 Q12809 3/20 0.42
PARP1 P09874 1/20 0.42
HTR3A P46098 1/20 0.41
OPRK1 P41145 1/20 0.39

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
SCHEMBL6602202 0.88 TSHR (0.45) SLC6A2SLC6A4SLC6A3KCNH2PARP1
SCHEMBL22608987 0.80 CHRNB2 (0.47) HTR3A
SCHEMBL28240606 0.79 TSHR (0.47) SLC6A2SLC6A4SLC6A3KCNH2PARP1
SCHEMBL1822134 0.78 HTR3A (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL21145876 0.77 PARP1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2PARP1
SCHEMBL28209805 0.76 DRD2 (0.45)
SCHEMBL1820009 0.75 CHRNB2 (0.46) SLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL1663055 0.75 JAK3 (0.49) SLC6A2SLC6A4SLC6A3KCNH2PARP1
SCHEMBL30776200 0.75 JAK3 (0.49) SLC6A2SLC6A4SLC6A3KCNH2PARP1
SCHEMBL4213803 0.75 JAK3 (0.49) SLC6A2SLC6A4SLC6A3KCNH2PARP1

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