SCHEMBL8961667

SCHEMBL8961667

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4cc(C)ccc43)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.47
AVPR1A P37288 10/20 0.47
AVPR1B P47901 9/20 0.47
OXTR P30559 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MTTP P55157 1/20 0.40

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
SCHEMBL6970903 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6972082 0.92 AVPR1A (0.52) AVPR2AVPR1AAVPR1BLMNAMTTP
SCHEMBL6970694 0.91 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6967424 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1BOXTRMTTP
SCHEMBL6965585 0.89 AVPR1A (0.51) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6966950 0.88 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6957855 0.87 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6971642 0.87 AVPR2 (0.50) AVPR2AVPR1AAVPR1BOXTRMTTP
SCHEMBL6964965 0.87 AVPR1A (0.50) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6959290 0.86 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR

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-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed