SCHEMBL6993361

SCHEMBL6993361

COc1cc(NC(=O)c2cccc(F)c2C)ccc1C(=O)N1CCCC(=O)c2sccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.57
AVPR1A P37288 7/20 0.57
AVPR1B P47901 2/20 0.57
TP53 P04637 5/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.42

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
SCHEMBL6989777 0.89 AVPR2 (0.58) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6989953 0.86 AVPR2 (0.62) AVPR2AVPR1AAVPR1BTP53MAPT
SCHEMBL6988080 0.86 AVPR2 (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL8819934 0.83 AVPR2 (0.55) AVPR2AVPR1AAVPR1BTP53MAPT
SCHEMBL6991662 0.81 AVPR1A (0.58) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6995626 0.81 AVPR1A (0.57) AVPR2AVPR1AAVPR1BTP53MAPT
SCHEMBL6992837 0.80 AVPR2 (0.57) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6985550 0.78 AVPR2 (0.47) AVPR2AVPR1AAVPR1BKMT2A
SCHEMBL8820801 0.76 AVPR2 (0.50) AVPR2AVPR1AAVPR1BTP53LMNA
SCHEMBL6987427 0.75 AVPR1A (0.59) AVPR2AVPR1AAVPR1BTP53MEN1

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