SCHEMBL6989072

SCHEMBL6989072

O=C(Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)c(Cl)c1)c1ccccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.55
AVPR2 P30518 7/20 0.53
PNLIP P16233 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
AVPR1B P47901 2/20 0.46
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43

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
SCHEMBL6987427 0.84 AVPR1A (0.59) AVPR1AAVPR2MEN1KMT2ALMNA
SCHEMBL6991662 0.83 AVPR1A (0.58) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL6993364 0.83 AVPR1A (0.57) AVPR1AAVPR2MEN1KMT2ALMNA
SCHEMBL6995599 0.82 AVPR1A (0.56) AVPR1AAVPR2MEN1KMT2ALMNA
SCHEMBL6989777 0.82 AVPR2 (0.58) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL6992837 0.82 AVPR2 (0.57) AVPR1AAVPR2LMNATP53AVPR1B
SCHEMBL8796903 0.77 AVPR1A (0.74) AVPR1AAVPR2MEN1KMT2ATP53
SCHEMBL8316487 0.77 AVPR1A (0.49) AVPR1AAVPR2PNLIPKCNK3KCNK9
SCHEMBL6990759 0.75 AVPR1A (0.68) AVPR1AAVPR2MEN1KMT2AAVPR1B
SCHEMBL6993361 0.74 AVPR2 (0.57) AVPR1AAVPR2MEN1KMT2ALMNA

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