SCHEMBL8959892

SCHEMBL8959892

COc1ccccc1C1(O)CCCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.52
CYP2D6 P10635 5/20 0.50
ALDH1A1 P00352 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A1 P30531 1/20 0.48
SLC6A12 P48065 1/20 0.48
SLC6A11 P48066 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CCR8 P51685 1/20 0.46

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
SCHEMBL31028218 0.84 CHRM4 (0.64) CHRM4ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL2970071 0.84 CHRM4 (0.64) CHRM4ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL8959854 0.83 CYP2D6 (0.50) CYP2D6ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL11191118 0.82 KMT2A (0.56) CYP2D6ALDH1A1OPRL1TSHRMEN1
SCHEMBL4265747 0.80 CYP2D6 (0.58) CYP2D6ALDH1A1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL9310958 0.79 CYP2D6 (0.46) CYP2D6ALDH1A1OPRL1TSHRMEN1
SCHEMBL31559216 0.79 CYP2D6 (0.46) CYP2D6ALDH1A1OPRL1TSHRKMT2A
SCHEMBL9046812 0.79 KDM4E (0.51) CYP2D6ALDH1A1OPRL1TSHRKMT2A
SCHEMBL5242779 0.78 OPRL1 (0.67) CYP2D6ALDH1A1OPRL1TSHRKMT2A
SCHEMBL3081018 0.77 ALDH1A1 (0.60) CYP2D6ALDH1A1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372776-B1 Arylpiperidine derivatives PFIZER (US) 1996-09-25 EP disclosed
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP disclosed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 WO disclosed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US disclosed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP disclosed