SCHEMBL8185347

SCHEMBL8185347

CCNC(=O)c1ccccc1COc1ccc(CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 4/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ OPRL1 P41146 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ CHRM2 P08172 1/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ FPR1 P21462 1/20 0.52
▸ FPR3 P25089 1/20 0.52
▸ ADRA1D P25100 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52

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
SCHEMBL5989500 0.85 NPC1 (0.56) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL5989548 0.83 RXRA (0.59) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL23358421 0.82 PARP10 (0.50) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL8782089 0.82 RXRA (0.50) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL20085626 0.82 RXRA (0.50) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL7097581 0.79 L3MBTL1 (0.57) KDM4EKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL8782235 0.78 FFAR1 (0.47) KDM4EMAPTOPRM1OPRD1OPRK1
SCHEMBL9283937 0.73 CAPN1 (0.44) KDM4EOPRL1HDAC6KMT2AMEN1
SCHEMBL3995720 0.73 TSHR (0.50) KDM4EMAPTFFAR4KMT2ALMNA
SCHEMBL3997587 0.73 FFAR1 (0.50) KDM4EMAPTFFAR4LMNASMN1; SMN2

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-2008062296-A2 NOP RECEPTOR AGONISTS FOR THE TREATMENT OF L-DOPA INDUCED DYSKINESIAS UNIVERSITA' DEGLI STUDI DI FERRARA (IT) 2008-05-29 — — WO disclosed
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