SCHEMBL6996850

SCHEMBL6996850

O=C(Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
AVPR1A P37288 10/20 0.47
AVPR1B P47901 8/20 0.47
AVPR2 P30518 8/20 0.46
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6991988 0.87 AVPR1A (0.56) LMNATP53AVPR1AAVPR1BAVPR2
SCHEMBL6985550 0.84 AVPR2 (0.47) AVPR1AAVPR1BAVPR2KMT2A
SCHEMBL6989537 0.84 AVPR1A (0.55) AVPR1AAVPR1BAVPR2KMT2A
SCHEMBL6995228 0.82 AVPR2 (0.51) AVPR1AAVPR1BAVPR2
SCHEMBL6987523 0.82 AVPR2 (0.56) AVPR1AAVPR1BAVPR2
SCHEMBL6988903 0.78 AVPR2 (0.55) LMNATP53AVPR1AAVPR1BAVPR2
SCHEMBL7341170 0.74 PYGL (0.58) LMNAGRM5MEN1KMT2A
SCHEMBL6990759 0.73 AVPR1A (0.68) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL5321445 0.72 AVPR1A (0.75) AVPR1AAVPR1BAVPR2
SCHEMBL6989072 0.72 AVPR1A (0.55) LMNATP53AVPR1AAVPR1BAVPR2

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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed