SCHEMBL8940640

SCHEMBL8940640

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CETP P11597 1/20 0.40
CA2 P00918 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB1 Q9H4B7 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL13111719 0.86 CA2 (0.50) CA2PTGS2LMNAMAPK1SMN1; SMN2
SCHEMBL8940769 0.86 HTR7 (0.53) HTR7GABRA1GABRB2CETPCA2
SCHEMBL8189614 0.80 PDE4A (0.42) CA2PTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL15693312 0.77 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL12967349 0.77 CACNA1H (0.39)
SCHEMBL26023236 0.76 CYP1A2 (0.41) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL10274466 0.76 CSNK2A1 (0.51) LMNASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL12845586 0.75 CSNK2A1 (0.42) SMN1; SMN2KMT2APDE4APDE4BPDE4C
SCHEMBL12845579 0.75 CSNK2A1 (0.42) SMN1; SMN2KMT2APDE4APDE4BPDE4C
SCHEMBL8171104 0.74 KCNH2 (0.41) LMNAALDH1A1

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