SCHEMBL7320842

SCHEMBL7320842

O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.67
AVPR2 P30518 8/20 0.67
OXTR P30559 1/20 0.48
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7332412 0.86 AVPR1A (0.50) AVPR1AAVPR2
SCHEMBL7415990 0.82 AVPR2 (0.50) AVPR1AAVPR2
SCHEMBL7338976 0.82 AVPR1A (0.51) AVPR1AAVPR2HPGD
SCHEMBL3554976 0.80 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL7416297 0.79 HSD11B1 (0.47)
SCHEMBL4138509 0.75 AVPR1A (0.69) AVPR1AAVPR2
SCHEMBL7340725 0.75 AVPR2 (0.48) AVPR1AAVPR2OXTRHPGDPOLB
SCHEMBL7410950 0.75 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL7331708 0.75 AVPR2 (0.59) AVPR1AAVPR2OXTR
SCHEMBL7417248 0.75 AVPR2 (0.60) AVPR1AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 EP claimed
US-5780471-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-14 US claimed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 EP disclosed
US-5780471-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-14 US disclosed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed