SCHEMBL8940890

SCHEMBL8940890

CCCCCCCc1ccc(O)c(-c2cc(CCCCCCC)ccc2OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.57
GABRB2 P47870 2/20 0.57
ALOX5 P09917 1/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 1/20 0.54
KAT8 Q9H7Z6 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51

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
SCHEMBL8940800 0.94 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR1CNR2
SCHEMBL8940661 0.88 CNR1 (0.73) GABRA1GABRB2ALOX5CNR1CNR2
SCHEMBL2938428 0.87 CNR1 (0.71) CNR1CNR2PPARACYP3A4KAT8
SCHEMBL7246840 0.84 HTR1A (0.72) ALOX5PPARGPPARACYP1A2CYP3A4
SCHEMBL6923070 0.84 HTR1A (0.72) ALOX5PPARGPPARACYP1A2CYP3A4
SCHEMBL28234392 0.84 HTR1A (0.72) ALOX5PPARGPPARACYP1A2CYP3A4
SCHEMBL3658739 0.84 TUBB4A (0.69) PPARGPPARACYP1A2CYP3A4TUBB4A
SCHEMBL9485313 0.84 HTR1A (0.72) ALOX5PPARGPPARACYP1A2CYP3A4
SCHEMBL3662929 0.84 TUBB4A (0.69) PPARGPPARACYP1A2CYP3A4TUBB4A
SCHEMBL16609989 0.84 HTR1A (0.72) ALOX5PPARGPPARACYP1A2CYP3A4

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-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 EP disclosed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 WO disclosed