SCHEMBL6985550

SCHEMBL6985550

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.47
AVPR1A P37288 12/20 0.45
AVPR1B P47901 7/20 0.45
MAP3K7 O43318 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL6991988 0.88 AVPR1A (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6995228 0.87 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL6988080 0.86 AVPR2 (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL6987523 0.86 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6989777 0.84 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL6996850 0.84 LMNA (0.51) AVPR2AVPR1AAVPR1BKMT2A
SCHEMBL6989537 0.83 AVPR1A (0.55) AVPR2AVPR1AAVPR1BALDH1A1KMT2A
SCHEMBL8796584 0.80 AVPR1A (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL6993361 0.78 AVPR2 (0.57) AVPR2AVPR1AAVPR1BKMT2A
SCHEMBL8796741 0.77 AVPR1A (0.73) AVPR2AVPR1AAVPR1BKMT2A

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