SCHEMBL8961772

SCHEMBL8961772

COc1cc(C(=O)N2CCC(=O)N(CC(=O)N3CCC(N(C)C)CC3)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.54
AVPR2 P30518 12/20 0.54
AVPR1B P47901 9/20 0.54
HSD11B1 P28845 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6960321 0.95 AVPR1A (0.52) AVPR1AAVPR2AVPR1BHSD11B1PDCD1
SCHEMBL6964971 0.91 AVPR2 (0.48) AVPR1AAVPR2AVPR1B
SCHEMBL6957577 0.90 AVPR1A (0.49) AVPR1AAVPR2AVPR1B
SCHEMBL6968601 0.88 AVPR2 (0.50) AVPR1AAVPR2AVPR1B
SCHEMBL6960071 0.87 AVPR1A (0.53) AVPR1AAVPR2AVPR1BPDCD1CD274
SCHEMBL6964451 0.87 AVPR1A (0.49) AVPR1AAVPR2AVPR1BPDCD1CD274
SCHEMBL6970362 0.85 AVPR1A (0.49) AVPR1AAVPR2AVPR1BPDCD1CD274
SCHEMBL9414294 0.85 AVPR1A (0.47) AVPR1AAVPR2AVPR1B
SCHEMBL6970791 0.83 AVPR2 (0.49) AVPR1AAVPR2AVPR1B
SCHEMBL6957855 0.82 AVPR1A (0.54) AVPR1AAVPR2AVPR1B

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