SCHEMBL6989953

SCHEMBL6989953

COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCCC(=O)c2sccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.62
AVPR1A P37288 9/20 0.62
AVPR1B P47901 2/20 0.54
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.43
OXTR P30559 1/20 0.41

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
SCHEMBL6989178 0.86 AVPR2 (0.69) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6993361 0.86 AVPR2 (0.57) AVPR2AVPR1AAVPR1BMAPTTP53
SCHEMBL8819981 0.86 AVPR2 (0.61) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL6994183 0.82 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6989393 0.80 AVPR1A (0.66) AVPR2AVPR1AAVPR1BMAPTTP53
SCHEMBL6987523 0.78 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL8797804 0.76 AVPR1A (1.00) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8820810 0.76 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL6988903 0.75 AVPR2 (0.55) AVPR2AVPR1AAVPR1BMAPTTP53
SCHEMBL6989777 0.74 AVPR2 (0.58) AVPR2AVPR1AAVPR1BTP53LMNA

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