SCHEMBL7701100

SCHEMBL7701100

CN(C)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.51
MAPKAPK2 P49137 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
HDAC4 P56524 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CETP P11597 1/20 0.42
USP36 Q9P275 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL7695360 0.89 DGAT1 (0.54) DGAT1MAPTRXFP1NPC1RAB9A
SCHEMBL7701281 0.85 MAPT (0.49) DGAT1MAPTLMNAHDAC4RXFP1
SCHEMBL7697491 0.85 HDAC4 (0.49) DGAT1MAPTHDAC4RXFP1
SCHEMBL7702049 0.83 DGAT1 (0.47) DGAT1MAPTRXFP1NPC1RAB9A
SCHEMBL7698920 0.82 GFER (0.52) DGAT1MAPTLMNANPC1RAB9A
SCHEMBL7696235 0.80 KMT2A (0.46) DGAT1MAPTLMNAHDAC4RXFP1
SCHEMBL7693909 0.79 GAA (0.59) DGAT1MAPTLMNANPC1RAB9A
SCHEMBL7695533 0.77 ADCY8 (0.47) DGAT1MAPTHDAC4RXFP1KDM4E
SCHEMBL7702798 0.77 MAPT (0.50) DGAT1MAPTLMNAHDAC4RXFP1
SCHEMBL7693843 0.77 TRPV1 (0.47) DGAT1MAPTLMNAHDAC4RXFP1

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed