SCHEMBL11288979

SCHEMBL11288979

CCc1ccccc1N1CCC2(CC1)OCC(=O)NC2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
TSHR P16473 2/20 0.39
ALOX5 P09917 1/20 0.39
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
DRD3 P35462 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
RBP4 P02753 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL11290953 0.87 TRPV1 (0.39) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11284731 0.85 TRPV1 (0.38) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11279991 0.83 TRPV1 (0.37) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11288906 0.81 LMNA (0.39) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11286151 0.79 LMNA (0.38) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11289006 0.78 LMNA (0.39) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11287243 0.77 LMNA (0.39) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11279680 0.75 LMNA (0.37) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11281332 0.75 TSHR (0.35) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL11285195 0.75 LMNA (0.41) LMNAMEN1MAPTKMT2ATRPV1

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
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed