SCHEMBL6988903

SCHEMBL6988903

O=C(Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.55
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
AVPR1A P37288 7/20 0.48
AVPR1B P47901 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AURKA O14965 1/20 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
SCHEMBL6994183 0.89 AVPR2 (0.60) AVPR2AVPR1AAVPR1B
SCHEMBL8797460 0.88 AVPR1A (0.62) AVPR2LMNATP53AVPR1AAVPR1B
SCHEMBL6989178 0.86 AVPR2 (0.69) AVPR2AVPR1AAVPR1B
SCHEMBL6990759 0.81 AVPR1A (0.68) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL6987519 0.80 AVPR1A (0.63) AVPR2LMNATP53AVPR1AAVPR1B
SCHEMBL6988080 0.79 AVPR2 (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL5321445 0.79 AVPR1A (0.75) AVPR2AVPR1AAVPR1B
SCHEMBL6996850 0.78 LMNA (0.51) AVPR2LMNATP53AVPR1AAVPR1B
SCHEMBL6995228 0.77 AVPR2 (0.51) AVPR2AVPR1AAVPR1BHDAC1HDAC6
SCHEMBL6989953 0.75 AVPR2 (0.62) AVPR2LMNATP53AVPR1AAVPR1B

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