SCHEMBL11277990

SCHEMBL11277990

CCc1ccccc1N1CCC2(CC1)CNC(=O)C(CC(C)C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 4/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 2/20 0.33
KCNH2 Q12809 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
DRD3 P35462 2/20 0.33
ALOX5 P09917 1/20 0.33
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD1 P21728 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
SCHEMBL11292614 0.89 OPRM1 (0.39) TRPV1LMNATSHRMAPTKMT2A
SCHEMBL11286317 0.83 MEN1 (0.39) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11277989 0.77 LMNA (0.60) LMNATSHRMAPTKMT2AOPRM1
SCHEMBL11235292 0.74 DRD2 (0.44) LMNATSHRKMT2AMEN1OPRM1
SCHEMBL11288183 0.74 HTR2A (0.48) HTR1ADRD2DRD4HTR2ADRD3
SCHEMBL11225549 0.73
SCHEMBL11285195 0.73 LMNA (0.41) TRPV1LMNATSHRMAPTKMT2A
SCHEMBL11224223 0.72 DRD2 (0.38) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11284564 0.70 SIGMAR1 (0.64) TSHROPRM1KCNH2SIGMAR1
SCHEMBL17543847 0.70 KMT2A (0.44) LMNATSHRMAPTKMT2AMEN1

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