SCHEMBL8940769

SCHEMBL8940769

CCc1ccc(OC)c(-c2cc(CC)ccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.53
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CA2 P00918 1/20 0.50
PTGS2 P35354 1/20 0.50
TUBB1 Q9H4B7 1/20 0.46
GAA P10253 1/20 0.45
CETP P11597 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
ALOX5 P09917 1/20 0.44
CNR2 P34972 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
SCHEMBL22215972 0.86 GABRA1 (0.72) GABRA1GABRB2GAAALDH1A1LMNA
SCHEMBL8940640 0.86 HTR7 (0.43) HTR7GABRA1GABRB2CA2PTGS2
SCHEMBL5991474 0.85 HTR7 (0.49) HTR7GABRA1GABRB2ALDH1A1LMNA
SCHEMBL31428 0.84 CA2 (0.71) CA2PTGS2ALDH1A1LMNASMN1; SMN2
SCHEMBL31275634 0.84 CA2 (0.71) CA2PTGS2ALDH1A1LMNASMN1; SMN2
SCHEMBL9199186 0.83 SYK (0.47) GABRA1GABRB2TUBB1GAAALDH1A1
SCHEMBL15055469 0.83 GABRA1 (0.58) HTR7GABRA1GABRB2CA2KDM4E
Water SCHEMBL8587595 0.82 CA2 (0.68) CA2PTGS2ALDH1A1LMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL266403 0.82 CA2 (0.68) CA2PTGS2ALDH1A1LMNASMN1; SMN2
SCHEMBL22130621 0.82 MGAM (0.49) GABRA1GABRB2GAAALOX5CNR2

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