SCHEMBL11279990

SCHEMBL11279990

CCCCC1NC(=O)COC12CCN(CCc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.47
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
DRD1 P21728 1/20 0.45
OPRM1 P35372 12/20 0.44
KCNH2 Q12809 7/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL11290931 0.89 SIGMAR1 (0.51) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11281527 0.83 HTR2A (0.47) ADRA2ADRD1
SCHEMBL11288975 0.82 SIGMAR1 (0.53) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11233235 0.80 DRD2 (0.41) LMNAADRA2ACYP2D6TSHROPRM1
SCHEMBL11284729 0.80 SIGMAR1 (0.51) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11279991 0.79 TRPV1 (0.37) LMNACHRM2TSHRMAPTKMT2A
SCHEMBL11281688 0.77 SIGMAR1 (0.53) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11281329 0.76 SIGMAR1 (0.48) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11281315 0.76 DRD2 (0.50) SIGMAR1LMNACHRM2ADRA2ACYP2D6
SCHEMBL11287227 0.73 DRD2 (0.51) SIGMAR1LMNACHRM2ADRA2ACYP2D6

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