SCHEMBL6960033

SCHEMBL6960033

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(Cc3cccnc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.53
AVPR1A P37288 6/20 0.53
AVPR1B P47901 2/20 0.53
OXTR P30559 1/20 0.47
NAMPT P43490 1/20 0.45

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
SCHEMBL8961662 0.86 AVPR2 (0.66) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961685 0.84 AVPR1A (0.51) AVPR2AVPR1AOXTR
SCHEMBL6966646 0.83 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL6966031 0.82 AVPR2 (0.56) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6968625 0.81 AVPR2 (0.56) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6971785 0.81 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6957168 0.81 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6970160 0.81 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6968029 0.80 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6958332 0.80 AVPR1A (0.50) AVPR2AVPR1AOXTR

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed