SCHEMBL11277989

SCHEMBL11277989

CC(C)CC1OC2(CCN(CCc3ccccc3)CC2)CNC1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
DRD1 P21728 1/20 0.60
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 18/20 0.55
OPRM1 P35372 17/20 0.55
KCNH2 Q12809 14/20 0.55

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
SCHEMBL11292608 0.88 SIGMAR1 (0.67) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL11286315 0.83 SIGMAR1 (0.66) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL11288183 0.83 HTR2A (0.48) ADRA2A
SCHEMBL11235292 0.79 DRD2 (0.44) LMNAADRA2ACYP2D6TSHRKMT2A
Fenspiride SCHEMBL21016 0.75 LMNA (1.00) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL11288209 0.75 DRD2 (0.50) LMNACHRM2ADRA2ACYP2D6TSHR
Fenspiride SCHEMBL9223216 0.74 LMNA (0.97) LMNACHRM2ADRA2ACYP2D6TSHR
Fenspiride SCHEMBL17006239 0.74 LMNA (0.97) LMNACHRM2ADRA2ACYP2D6TSHR
Fenspiride SCHEMBL613462 0.74 MAPT (1.00) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL11224223 0.73 DRD2 (0.38) LMNAADRA2ACYP2D6TSHRMAPT

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