SCHEMBL8986000

SCHEMBL8986000

CC(Cl)CN(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.49
OPRM1 P35372 5/20 0.49
OPRD1 P41143 4/20 0.49
AOC3 Q16853 2/20 0.49
BCHE P06276 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL12265182 0.86 TSHR (0.47) OPRK1OPRM1OPRD1AOC3BCHE
Hydrochloric Acid SCHEMBL31094860 0.85 ALDH1A1 (0.48) OPRK1OPRM1OPRD1BCHEALDH1A1
SCHEMBL231061 0.79 OPRK1 (0.63) OPRK1OPRM1OPRD1AOC3BCHE
SCHEMBL14047033 0.79 OPRK1 (0.69) OPRK1OPRM1OPRD1AOC3BCHE
SCHEMBL13049987 0.77 OPRK1 (0.67) OPRK1OPRM1OPRD1AOC3BCHE
SCHEMBL12049809 0.77 OPRK1 (0.61) OPRK1OPRM1OPRD1AOC3BCHE
SCHEMBL8936121 0.77 MAOB (0.47) OPRK1AOC3ALDH1A1CYP1A2CYP2D6
SCHEMBL20135644 0.77 MEN1 (0.45)
SCHEMBL20135643 0.77 MEN1 (0.45)
SCHEMBL8936116 0.77 MAOB (0.47) OPRK1AOC3ALDH1A1CYP1A2CYP2D6

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-5583000-A DETECTING PRESENCE OF RETROVIRAL PROTEASES IN SAMPLE BY COMBINING WITH SPECIFIED COMPOUND AND DETECTING PRESENCE OF COMPLEXES FORMED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-10 US disclosed