SCHEMBL6970609

SCHEMBL6970609

COc1cc(C(=O)N2CCC(=O)N(CCN(C)C)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.54
AVPR1B P47901 11/20 0.54
AVPR2 P30518 16/20 0.52
MTTP P55157 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL6958544 0.93 AVPR2 (0.57) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6964451 0.91 AVPR1A (0.49) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6970821 0.89 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTPPDCD1
SCHEMBL6968185 0.87 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTPPDCD1
SCHEMBL6957855 0.86 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6970491 0.86 AVPR2 (0.61) AVPR1AAVPR1BAVPR2
SCHEMBL6965230 0.85 AVPR1A (0.56) AVPR1AAVPR1BAVPR2MTTPPDCD1
SCHEMBL6971518 0.83 AVPR2 (0.56) AVPR1AAVPR1BAVPR2
SCHEMBL6959303 0.83 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6972082 0.83 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTP

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