SCHEMBL5044166

SCHEMBL5044166

CCCCCCCCc1noc(-c2ccc(CC([NH])c3ccccc3C(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SPHK1 Q9NYA1 3/20 0.41
HSD11B1 P28845 1/20 0.39
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
PPARD Q03181 3/20 0.39
SPHK2 Q9NRA0 4/20 0.39
S1PR1 P21453 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5049034 0.83 PPARG (0.44) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5045783 0.82 PPARG (0.44) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1856354 0.78 SPHK1 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1857367 0.78 SPHK1 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5040965 0.78 ALDH1A1 (0.44) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6718594 0.76 SMN1; SMN2 (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5040963 0.76 KDM4E (0.42) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6783418 0.75 NPC1 (0.47) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5049461 0.75 SMN1; SMN2 (0.56) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5044306 0.75 SMN1; SMN2 (0.56) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed