SCHEMBL8940603

SCHEMBL8940603

COc1ccc(F)cc1-c1cc(F)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
NFE2L2 Q16236 2/20 0.48
LRRK2 Q5S007 2/20 0.48
SLC9A1 P19634 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
CREBBP Q92793 1/20 0.44
PTGS1 P23219 1/20 0.44
AMY1A P0DUB6 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL20691248 0.89 ERN1 (0.45) ERN1NFE2L2LRRK2SLC9A1JAK2
SCHEMBL10304909 0.89 S1PR1 (0.46) ERN1NFE2L2LRRK2SLC9A1JAK2
SCHEMBL15624568 0.88 SLC9A1 (0.48) ERN1NFE2L2LRRK2SLC9A1JAK2
SCHEMBL21408274 0.85 ERN1 (0.45) ERN1NFE2L2LRRK2SLC9A1CCNT1
SCHEMBL15455603 0.85 ERN1 (0.45) ERN1NFE2L2LRRK2SLC9A1JAK2
SCHEMBL6608193 0.83 SYK (0.52) ERN1JAK2JAK3KDM4ENR3C1
SCHEMBL18177606 0.83 ERN1 (0.62) ERN1NFE2L2SLC9A1KDM4ENR3C1
SCHEMBL3347567 0.83 HTR7 (0.47) JAK2JAK3NR3C1NR3C2HTR7
SCHEMBL4620558 0.83 JAK2 (0.52) ERN1JAK2JAK3KDM4ENR3C1
SCHEMBL166380 0.82 NFE2L2 (0.61) NFE2L2KDM4ENR3C1PTGS1CA12

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