SCHEMBL5738673

SCHEMBL5738673

O=C(c1ccc(SC2CCCCC2)nc1)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.56
AVPR2 P30518 5/20 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
SCHEMBL7311596 0.81 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL7320305 0.79 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL5739804 0.79 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL5738984 0.79 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL5118219 0.78 AVPR1A (0.68) AVPR1AAVPR2
SCHEMBL4146951 0.77 AVPR1A (0.73) AVPR1AAVPR2
SCHEMBL13403212 0.74 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL5739919 0.74 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL8944367 0.74 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL7332293 0.73 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed