SCHEMBL7315587

SCHEMBL7315587

OC1(c2cccs2)c2ccccc2C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PDK2 Q15119 1/20 0.32
SLC6A2 P23975 1/20 0.32
MEN1 O00255 1/20 0.31
PRCP P42785 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7316770 0.81 PDK2 (0.43) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL7319059 0.76 CHRM2 (0.42) PKMOPRM1OPRL1OPRD1OPRK1
SCHEMBL28229665 0.71 HCAR2 (0.38) KDM4EOPRM1OPRL1MEN1KMT2A
Methane SCHEMBL28321651 0.70 HCAR2 (0.37) OPRM1OPRL1
SCHEMBL7322102 0.70 P2RX1 (0.46) KDM4EPKMPDK2GAAMAPT
SCHEMBL7316176 0.69 PDK2 (0.50) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL24281886 0.69 KMT2A (0.57) KDM4ECHRM2PDK2MEN1KMT2A
SCHEMBL7320725 0.68 PDK2 (0.51) PDK2
SCHEMBL10490974 0.68 MAPT (0.44) KDM4EPDK2MEN1KMT2AALDH1A1
SCHEMBL7315243 0.66 PDK2 (0.41) PDK2ALDH1A1

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-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed