SCHEMBL5702162

SCHEMBL5702162

COc1ccc(C2(O)CCN(C(C=O)c3ccc(OCc4ccccc4)c(C)c3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
OPRM1 P35372 11/20 0.37
OPRK1 P41145 11/20 0.37
OPRL1 P41146 11/20 0.37
OPRD1 P41143 10/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 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
SCHEMBL5701991 0.91 PDE10A (0.40) PDE10AOPRM1OPRK1OPRL1OPRD1
SCHEMBL5464013 0.83 PDE10A (0.41) PDE10AABCB1SLC6A4KCNH2
SCHEMBL5702234 0.82 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1FFAR4
SCHEMBL5463199 0.79 GRIN2B (0.52) PDE10AFFAR4ABCB1MEN1KMT2A
SCHEMBL5702313 0.78 TACR2 (0.41) OPRM1OPRK1OPRL1OPRD1ABCB1
SCHEMBL5702204 0.78 CCR2 (0.32) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL5702215 0.76 ACACB (0.31)
SCHEMBL5702082 0.75 OPRL1 (0.35) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL5463189 0.74 TACR2 (0.41) PDE10AABCB1SLC6A4
SCHEMBL5462674 0.74 PDE10A (0.41) PDE10AABCB1MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 WO disclosed