SCHEMBL7311010

SCHEMBL7311010

CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 1.00
AVPR2 P30518 8/20 1.00
OXTR P30559 1/20 0.56

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
SCHEMBL3554976 0.86 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL4145424 0.83 AVPR1A (0.79) AVPR1AAVPR2
SCHEMBL6624843 0.82 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL13403212 0.81 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL5741818 0.81 AVPR1A (0.70) AVPR1AAVPR2
SCHEMBL4147095 0.81 AVPR1A (0.82) AVPR1AAVPR2
SCHEMBL6623633 0.81 AVPR1A (0.76) AVPR1AAVPR2
SCHEMBL7314707 0.81 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL4138543 0.81 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL7332293 0.81 AVPR1A (0.83) 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 6 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
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US claimed
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 EP 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