SCHEMBL11287197

SCHEMBL11287197

CCc1ccccc1N1CCC2(CC1)CN(C)C(=O)CO2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.59
OPRM1 P35372 8/20 0.43
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KCNH2 Q12809 2/20 0.37
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11288206 0.86 SIGMAR1 (0.45) SIGMAR1OPRM1MEN1LMNAMAPT
SCHEMBL11289188 0.86 FASN (0.44) SIGMAR1OPRM1MEN1LMNAMAPT
SCHEMBL11281374 0.82 SIGMAR1 (0.41) SIGMAR1OPRM1MEN1LMNAMAPT
SCHEMBL17543847 0.79 KMT2A (0.44) MEN1LMNAMAPTKMT2AHTR1A
SCHEMBL11285195 0.77 LMNA (0.41) MEN1LMNAMAPTKMT2AHTR1A
SCHEMBL11284564 0.77 SIGMAR1 (0.64) SIGMAR1OPRM1KCNH2TSHR
SCHEMBL23015975 0.75 SIGMAR1 (0.79) SIGMAR1OPRM1DRD2KCNH2
SCHEMBL11289006 0.75 LMNA (0.39) MEN1LMNAMAPTKMT2AHTR1A
SCHEMBL11279270 0.75 SIGMAR1 (0.63) SIGMAR1OPRM1KCNH2TSHR
SCHEMBL11287195 0.74 SIGMAR1 (1.00) SIGMAR1OPRM1LMNAMAPTKMT2A

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