SCHEMBL5167657

SCHEMBL5167657

COc1cccc(C2(O)CCCN(Cc3cccc(C(F)(F)F)c3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.52
OPRK1 P41145 2/20 0.51
OPRD1 P41143 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GRIN2B Q13224 2/20 0.49
KCNH2 Q12809 1/20 0.47
CYP3A4 P08684 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A9 P48067 1/20 0.45
USP2 O75604 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44

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
Hydrochloric Acid SCHEMBL3094861 0.99 OPRL1 (0.51) OPRL1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL5169284 0.93 CYP3A4 (0.55) OPRL1OPRK1OPRD1ALDH1A1GRIN2B
Hydrochloric Acid SCHEMBL3075246 0.92 CYP3A4 (0.54) OPRL1OPRK1OPRD1ALDH1A1GRIN2B
SCHEMBL5166185 0.87 ALDH1A1 (0.53) OPRL1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL3081018 0.86 ALDH1A1 (0.60) OPRL1OPRK1OPRD1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3087862 0.86 ALDH1A1 (0.53) OPRL1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL5166883 0.85 MCHR1 (0.55) OPRL1OPRK1OPRD1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11194779 0.85 ALDH1A1 (0.59) OPRL1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL5168656 0.85 ALDH1A1 (0.53) OPRL1OPRK1OPRD1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3091514 0.85 MCHR1 (0.54) OPRL1OPRK1OPRD1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP claimed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO claimed
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP disclosed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO disclosed