SCHEMBL8940661

SCHEMBL8940661

CCCc1ccc(O)c(-c2cc(CCC)ccc2OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.73
CNR2 P34972 1/20 0.73
GABRA1 P14867 5/20 0.69
GABRB2 P47870 5/20 0.69
ALOX5 P09917 2/20 0.69
TSHR P16473 2/20 0.51
TAAR1 Q96RJ0 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
GLA P06280 1/20 0.50
AKR1B1 P15121 1/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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 0.90 GABRA1 (0.60) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL10054534 0.90 CNR1 (0.59) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL15055469 0.89 GABRA1 (0.58) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL8940890 0.88 GABRA1 (0.57) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL662610 0.86 CNR1 (1.00) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL29380189 0.86 CNR1 (1.00) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL267532 0.82 TAAR1 (0.73) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL29833121 0.82 CYP3A4 (0.71) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL901444 0.82 CYP3A4 (0.71) CNR1CNR2GABRA1GABRB2ALOX5
SCHEMBL9679818 0.81 GABRA1 (0.57) GABRA1GABRB2ALOX5TSHRCYP1A2

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