SCHEMBL27699503

SCHEMBL27699503

NC(=O)C1CC1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.43
SLC9A1 P19634 3/20 0.43
EPHX2 P34913 3/20 0.42
KDM1A O60341 3/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RCOR1 Q9UKL0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL22721277 0.96 GPR88 (0.48) GPR88SLC9A1EPHX2KDM1AMAOB
SCHEMBL18984237 0.86 FFAR1 (0.50) GPR88EPHX2KDM1AMAOBFFAR1
SCHEMBL21501071 0.86 FFAR1 (0.50) GPR88EPHX2KDM1AMAOBFFAR1
SCHEMBL6997931 0.86 FFAR1 (0.50) GPR88EPHX2KDM1AMAOBFFAR1
SCHEMBL7659702 0.86 FFAR1 (0.50) GPR88EPHX2KDM1AMAOBFFAR1
SCHEMBL23425328 0.86 FFAR1 (0.50) GPR88EPHX2KDM1AMAOBFFAR1
SCHEMBL4608225 0.80 SCN9A (0.44) GPR88EPHX2KDM1AMAOBL3MBTL1
SCHEMBL19836055 0.79 GAA (0.38) EPHX2MAPTL3MBTL1EPHX1FFAR1
SCHEMBL22398100 0.79 FFAR1 (0.53) GPR88SLC9A1KDM1AMAOBALDH1A1
SCHEMBL15542075 0.78 SLC9A1 (0.43) SLC9A1MAPTL3MBTL1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 CN disclosed