SCHEMBL8934790

SCHEMBL8934790

COc1cn(CC2CC3CCC2C3)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDGFRB P09619 5/20 0.34
PDGFRA P16234 5/20 0.34
MCHR1 Q99705 1/20 0.33
OPRK1 P41145 6/20 0.32
OPRM1 P35372 3/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 2/20 0.31
MEP1B Q16820 1/20 0.31

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
SCHEMBL10978590 0.67 CYP2B6 (0.49) ALDH1A1
SCHEMBL25237385 0.66
SCHEMBL15356086 0.62 OPRM1 (0.38) LMNAHTR2AHTR2CSLC6A4KDM4E
SCHEMBL20030576 0.61 MCHR1 (0.43) LMNAHTR2AHTR2CSLC6A4MCHR1
Hydrochloric Acid SCHEMBL21492674 0.61 GABRA1 (0.36) HTR2AHTR2CSLC6A4MCHR1OPRK1
SCHEMBL23007621 0.61 MCHR1 (0.43) LMNAHTR2AHTR2CSLC6A4MCHR1
SCHEMBL18379791 0.60 MCHR1 (0.37) LMNAKDM4EALDH1A1TP53NPSR1
SCHEMBL21466550 0.60 MCHR1 (0.37) LMNAKDM4EALDH1A1TP53NPSR1
SCHEMBL18714955 0.60 MCHR1 (0.37) LMNAKDM4EALDH1A1TP53NPSR1
SCHEMBL19055333 0.60 MCHR1 (0.37) LMNAKDM4EALDH1A1TP53NPSR1

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed