SCHEMBL6972086

SCHEMBL6972086

COc1cc(C(=O)N2CCC(=O)N(C(C=O)N3CCN(C)CC3)c3cc(C)ccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.51
AVPR1B P47901 10/20 0.51
AVPR2 P30518 13/20 0.46
MTTP P55157 2/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
BRPF1 P55201 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
SCHEMBL6964969 0.95 AVPR1A (0.49) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6967089 0.93 AVPR1A (0.46) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970749 0.83 AVPR2 (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL6972082 0.83 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6965230 0.81 AVPR1A (0.56) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6957855 0.80 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6959303 0.79 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPLMNA
SCHEMBL6964965 0.78 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6970821 0.78 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6970609 0.77 AVPR1A (0.54) 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 1 patent. 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