SCHEMBL12874915

SCHEMBL12874915

CC1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CCN(C(=O)c2ccccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ NPY2R P49146 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12874912 0.82 FAAH (0.48) KMT2ARAB9AALDH1A1LMNAGAA
SCHEMBL12874947 0.77 NPC1 (0.51) KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL12875143 0.75 CNR2 (0.49) EPHX2GAA
SCHEMBL12875690 0.75 CHRNB2 (0.50) CYP2C9KMT2AALDH1A1SMN1; SMN2
SCHEMBL12875147 0.74 MEN1 (0.51) NPY2RKMT2ARAB9AALDH1A1LMNA
SCHEMBL1147359 0.74 EPHX2 (0.52) EPHX2NPY2RNAMPTRXFP1KMT2A
SCHEMBL1147377 0.73 EPHX2 (0.72) EPHX2TDP1
SCHEMBL1147350 0.72 KMT2A (0.53) EPHX2NAMPTRXFP1KMT2ARAB9A
SCHEMBL15058808 0.69 RXFP1 (0.62) EPHX2RXFP1CYP2C9CYP2C19HTR2B
SCHEMBL15387509 0.68 EPHX2 (0.70) EPHX2TDP1

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
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 — — WO disclosed
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