SCHEMBL7308830

SCHEMBL7308830

O=C(c1ccc(-c2ccccc2)cc1)N1Cc2ccnn2Cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.67
AVPR2 P30518 10/20 0.67
OXTR P30559 3/20 0.52
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6624184 0.88 AVPR1A (0.51) AVPR1AAVPR2HPGD
SCHEMBL7329926 0.88 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL6622410 0.85 AVPR1A (0.52) AVPR1AAVPR2OXTR
SCHEMBL8314472 0.84 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL6625490 0.84 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL7335590 0.84 AVPR1A (0.52) AVPR1AAVPR2ALDH1A1HPGD
SCHEMBL5738340 0.83 AVPR2 (0.62) AVPR1AAVPR2OXTR
SCHEMBL7386820 0.81 RAB9A (0.54) AVPR1AAVPR2ALDH1A1HPGD
SCHEMBL6624713 0.80 AVPR1A (0.44) AVPR1AAVPR2ALDH1A1
SCHEMBL6624718 0.80 AVPR1A (0.44) AVPR1AAVPR2ALDH1A1

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