SCHEMBL117772

SCHEMBL117772

CC(C(=O)Nc1cccc2cnccc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.70
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL19699467 0.85 LMNA (0.63) TRPV1LMNAKMT2AALDH1A1MAPT
SCHEMBL4026073 0.82 TRPV1 (1.00) TRPV1KMT2AMEN1MAPK1HTT
SCHEMBL8513508 0.81 TRPV1 (0.65) TRPV1KMT2AMEN1MAPK1HTT
SCHEMBL15478234 0.81 TRPV1 (0.65) TRPV1KMT2AMEN1MAPK1HTT
SCHEMBL19976895 0.81 MEN1 (0.63) TRPV1LMNAKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL116218 0.81 TRPV1 (0.64) TRPV1KMT2AMEN1MAPK1HTT
SCHEMBL5660097 0.80 TRPV1 (0.71) TRPV1
SCHEMBL116573 0.80 TRPV1 (0.63) TRPV1KMT2AMEN1MAPK1HTT
SCHEMBL30114438 0.79 TRPV1 (0.64) TRPV1LMNAKMT2AMEN1MAPK1
SCHEMBL4023786 0.79 TRPV1 (0.64) TRPV1LMNAKMT2AMEN1MAPK1

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-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed