SCHEMBL6958544

SCHEMBL6958544

COc1cc(C(=O)N2CC(=O)N(CCN(C)C)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.57
AVPR1A P37288 10/20 0.49
AVPR1B P47901 8/20 0.49
OXTR P30559 1/20 0.42
MTTP P55157 5/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6970609 0.93 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6960423 0.86 AVPR2 (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6964451 0.84 AVPR1A (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL6972489 0.81 AVPR2 (0.63) AVPR2AVPR1AAVPR1B
SCHEMBL6970821 0.81 AVPR1A (0.57) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6968185 0.79 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6957855 0.79 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6970491 0.78 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6965230 0.77 AVPR1A (0.56) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6968346 0.77 HSD11B1 (0.41) AVPR2ALDH1A1

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 3 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
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