SCHEMBL11286148

SCHEMBL11286148

CCC1OC2(CCN(CCc3ccccc3)CC2)C(C)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.57
OPRM1 P35372 15/20 0.57
KCNH2 Q12809 12/20 0.57
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
DRD1 P21728 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11281329 0.89 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11288900 0.87 SIGMAR1 (0.57) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11284630 0.82 HTR2A (0.50) ADRA2ADRD1
SCHEMBL11292608 0.79 SIGMAR1 (0.67) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11288975 0.78 SIGMAR1 (0.53) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11234750 0.78 DRD2 (0.44) OPRM1LMNAADRA2ACYP2D6TSHR
SCHEMBL11286151 0.77 LMNA (0.38) SIGMAR1OPRM1KCNH2LMNATSHR
SCHEMBL11285409 0.75 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11290931 0.74 SIGMAR1 (0.51) SIGMAR1OPRM1KCNH2LMNACHRM2
SCHEMBL11280005 0.74 CHRM2 (0.53) SIGMAR1OPRM1KCNH2LMNACHRM2

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