SCHEMBL11080449

SCHEMBL11080449

OC1(c2cccs2)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
SLC6A2 P23975 1/20 0.36
HPGDS O60760 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.35
PRCP P42785 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7319059 0.79 CHRM2 (0.42) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL9407831 0.73 CHRM3 (0.38) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407787 0.73 DRD2 (0.36) KDM1ASLC6A2CHRM2CHRM4CHRM5
SCHEMBL9407789 0.73 DRD2 (0.36) KDM1ASLC6A2CHRM2CHRM4CHRM5
SCHEMBL9407763 0.73 MAPK1 (0.33) KDM1ASLC6A2CHRM2CHRM4CHRM5
SCHEMBL9407767 0.73 MAPK1 (0.33) KDM1ASLC6A2CHRM2CHRM4CHRM5
SCHEMBL9407828 0.73 CHRM3 (0.38) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407759 0.73 MAPK1 (0.33) KDM1ASLC6A2CHRM2CHRM4CHRM5
SCHEMBL9407832 0.73 CHRM3 (0.38) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9407792 0.73 DRD2 (0.36) KDM1ASLC6A2CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 US disclosed