SCHEMBL8570755

SCHEMBL8570755

OC(CN1CCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.66
CHRM1 P11229 6/20 0.66
CYP2D6 P10635 6/20 0.66
KCNH2 Q12809 4/20 0.66
HTR1A P08908 3/20 0.66
OPRM1 P35372 3/20 0.66
LMNA P02545 2/20 0.66
CHRM3 P20309 6/20 0.62
CHRM4 P08173 5/20 0.62
CHRM5 P08912 5/20 0.62
SIGMAR1 Q99720 2/20 0.62
KDM4E B2RXH2 1/20 0.62
DRD2 P14416 1/20 0.62
DRD1 P21728 1/20 0.62
HTR2A P28223 1/20 0.62
DRD3 P35462 1/20 0.62
SCN1A P35498 1/20 0.62
SCN2A Q99250 1/20 0.62
SCN3A Q9NY46 1/20 0.62
MAPK1 P28482 2/20 0.60

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
SCHEMBL11884527 0.83 HTT (0.71) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL10517157 0.80 CHRM4 (0.49) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL143298 0.79 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL14354524 0.79 CHRM2 (0.56) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL10518504 0.79 CHRM3 (0.47) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL1377092 0.79 KDM4E (0.56) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL29250415 0.78 CHRM2 (0.97) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL363996 0.78 CHRM2 (0.97) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL10307554 0.78 CHRM3 (0.97) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL27496509 0.78 CHRM2 (0.97) CHRM2CHRM1CYP2D6KCNH2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP claimed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO disclosed