SCHEMBL6965230

SCHEMBL6965230

COc1cc(C(=O)N2CCC(=O)N(CC(=O)O)c3cc(C)ccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.56
AVPR1B P47901 11/20 0.56
AVPR2 P30518 13/20 0.51
MTTP P55157 2/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 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
SCHEMBL6970821 0.95 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTPPDCD1
SCHEMBL6971506 0.94 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6959303 0.92 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6967424 0.91 AVPR2 (0.46) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6972082 0.90 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6969281 0.88 AVPR1A (0.51) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6968185 0.88 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTPPDCD1
SCHEMBL6964270 0.87 AVPR2 (0.53) AVPR1AAVPR1BAVPR2
SCHEMBL6971739 0.87 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6960071 0.86 AVPR1A (0.53) AVPR1AAVPR1BAVPR2PDCD1CD274

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