SCHEMBL7337255

SCHEMBL7337255

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.63
AVPR1A P37288 11/20 0.63
OXTR P30559 1/20 0.63
AVPR1B P47901 2/20 0.55

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
SCHEMBL7337408 0.88 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL7332478 0.86 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL7369344 0.85 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8557426 0.83 NPC1 (0.49) AVPR2AVPR1A
SCHEMBL7337085 0.82 AVPR2 (0.63) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8563988 0.80 AVPR1A (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7335374 0.80 CHRNB2 (0.43) AVPR2AVPR1AOXTR
SCHEMBL8556495 0.80 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL5738340 0.79 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL5739086 0.78 AVPR2 (0.76) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed