SCHEMBL8940800

SCHEMBL8940800

CCCCc1ccc(O)c(-c2cc(CCCC)ccc2OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.60
GABRB2 P47870 4/20 0.60
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
ALOX5 P09917 1/20 0.58
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL8940890 0.94 GABRA1 (0.57) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL8940661 0.90 CNR1 (0.73) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL723543 0.87 CNR1 (0.77) CNR1CNR2ALOX5CYP3A4MAPK1
SCHEMBL677607 0.83 TAAR1 (0.69) ALOX5CYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL3661443 0.83 TUBB4A (0.69) CYP1A2CYP3A4TUBB4ATUBBTUBA3C
SCHEMBL31710801 0.83 TAAR1 (0.69) ALOX5CYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9357796 0.82 GABRA1 (0.55) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL10054534 0.81 CNR1 (0.59) GABRA1GABRB2CNR1CNR2ALOX5
SCHEMBL9362113 0.81 GABRA1 (0.53) GABRA1GABRB2ALOX5CYP1A2CYP3A4
SCHEMBL2938428 0.80 CNR1 (0.71) CNR1CNR2CYP3A4LMNA

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-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