SCHEMBL7748312

SCHEMBL7748312

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3/C=C/CCCCC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.41
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7367137 1.00 AVPR2 (0.41) AVPR2AVPR1AAVPR1BNPC1RAB9A
SCHEMBL7367134 1.00 AVPR2 (0.41) AVPR2AVPR1AAVPR1BNPC1RAB9A
SCHEMBL7376626 0.88 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7376623 0.88 AVPR2 (0.40) AVPR2AVPR1AAVPR1B
SCHEMBL7375232 0.88 POLB (0.40) AVPR2NPC1RAB9A
SCHEMBL7375748 0.88 POLB (0.40) AVPR2NPC1RAB9A
SCHEMBL7375229 0.88 POLB (0.40) AVPR2NPC1RAB9A
SCHEMBL7377221 0.88 PPARD (0.45) AVPR2
SCHEMBL7377226 0.88 PPARD (0.45) AVPR2
SCHEMBL7369639 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1B

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed