SCHEMBL11286151

SCHEMBL11286151

CCc1ccccc1N1CCC2(CC1)OC(CC)C(=O)NC2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.36
RBP4 P02753 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD3 P35462 2/20 0.34
ALOX5 P09917 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL11281332 0.89 TSHR (0.35) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11288906 0.88 LMNA (0.39) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11288979 0.79 LMNA (0.42) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11292614 0.78 OPRM1 (0.39) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11286148 0.77 SIGMAR1 (0.57) LMNATSHRMAPTKMT2AOPRM1
SCHEMBL11285411 0.75 LMNA (0.36) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11284630 0.73 HTR2A (0.50) HTR1ADRD2DRD4HTR2ADRD3
SCHEMBL11234750 0.73 DRD2 (0.44) LMNATSHRMEN1KMT2AHTT
SCHEMBL11290953 0.73 TRPV1 (0.39) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11228106 0.73

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