SCHEMBL7312839

SCHEMBL7312839

O=C(c1ccc(I)cc1)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.77
AVPR2 P30518 7/20 0.77

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
SCHEMBL13403212 0.89 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL7332293 0.88 AVPR1A (0.83) AVPR1AAVPR2
SCHEMBL3554976 0.87 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL5738429 0.87 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL3556377 0.87 AVPR1A (0.81) AVPR1AAVPR2
SCHEMBL6624843 0.87 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL6625491 0.87 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL6068819 0.87 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL7311596 0.84 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL7332271 0.84 AVPR1A (0.72) 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 3 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 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