SCHEMBL4686806

SCHEMBL4686806

CC(CNC(=O)C(C)(C)Sc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EP300 Q09472 4/20 0.40
HAT1 O14929 2/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CNR1 P21554 4/20 0.38
PRCP P42785 1/20 0.38
P2RX7 Q99572 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CNR2 P34972 3/20 0.37

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
SCHEMBL4686248 0.78 CNR1 (0.50) NPC1RAB9AHPGDCNR1CNR2
SCHEMBL3140995 0.75 ACACB (0.48) NPC1RAB9ACNR1CNR2
SCHEMBL14227540 0.74 CNR2 (0.52) NPC1RAB9ACNR1PPARACNR2
SCHEMBL12664470 0.73 NPC1 (0.55) NPC1RAB9ATDP1TAAR1CNR1
SCHEMBL12519205 0.72 NPC1 (0.46) NPC1RAB9AEP300HAT1TDP1
SCHEMBL24192360 0.69 NPC1 (0.54) NPC1RAB9AHPGDTDP1TAAR1
SCHEMBL19281410 0.69 NPC1 (0.54) NPC1RAB9AHPGDTDP1TAAR1
SCHEMBL24192005 0.69 NPC1 (0.54) NPC1RAB9AHPGDTDP1TAAR1
SCHEMBL3144439 0.69 ALDH1A1 (0.40) NPC1RAB9ATDP1
SCHEMBL4072352 0.68 HPGD (0.49) NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP claimed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP claimed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed