SCHEMBL12875130

SCHEMBL12875130

CC(C)c1ccc(NC(=O)C2(C)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.59
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TRPV1 Q8NER1 4/20 0.50
▸ TRPM8 Q7Z2W7 7/20 0.49
▸ MAPT P10636 1/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ NAMPT P43490 1/20 0.47

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
SCHEMBL1147470 0.89 PANK3 (0.59) PANK3NPC1RAB9ATRPV1TRPM8
SCHEMBL12874947 0.87 NPC1 (0.51) PANK3NPC1RAB9ATRPV1MAPT
SCHEMBL1147379 0.78 TRPV1 (0.55) PANK3NPC1RAB9ATRPV1MAPT
SCHEMBL1147181 0.78 EPHX2 (0.56) PANK3MAPTEPHX2CNR1CNR2
SCHEMBL1147398 0.77 NPC1 (0.61) PANK3NPC1RAB9ATRPV1MAPT
SCHEMBL5119901 0.77 PANK3 (0.53) PANK3NPC1RAB9ATRPV1TRPM8
SCHEMBL4813571 0.77 EPHX2 (0.61) TRPV1TRPM8MAPTEPHX2CNR1
SCHEMBL4813582 0.77 EPHX2 (0.61) TRPV1TRPM8MAPTEPHX2CNR1
Hydrochloric Acid SCHEMBL1160542 0.77 TRPV1 (0.54) PANK3NPC1RAB9ATRPV1MAPT
Hydrochloric Acid SCHEMBL15387462 0.76 NPC1 (0.60) PANK3NPC1RAB9ATRPV1MAPT

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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