SCHEMBL6967089

SCHEMBL6967089

COc1cc(C(=O)N2CCC(=O)N(C(C=O)N3CCN(C)CC3)c3cc(C)ccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.46
AVPR1B P47901 7/20 0.46
AVPR2 P30518 10/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
BRPF1 P55201 1/20 0.38
ACHE P22303 1/20 0.36
THRB P10828 1/20 0.36
MAP3K7 O43318 1/20 0.36

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
SCHEMBL6972086 0.93 AVPR1A (0.51) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6964969 0.88 AVPR1A (0.49) AVPR1AAVPR1BAVPR2
SCHEMBL6967087 0.83 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL9414294 0.81 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL8961732 0.79 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6969281 0.79 AVPR1A (0.51) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970232 0.77 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970749 0.76 AVPR2 (0.55) AVPR1AAVPR1BAVPR2
SCHEMBL6972082 0.76 AVPR1A (0.52) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL8961670 0.75 AVPR1A (0.45) AVPR1AAVPR1BAVPR2LMNATP53

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