SCHEMBL5049461

SCHEMBL5049461

CCCCCCCCc1noc(-c2ccc(C([NH])CCc3ccc(-c4ccccc4)cc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SPHK1 Q9NYA1 3/20 0.44
S1PR1 P21453 4/20 0.44
S1PR5 Q9H228 3/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
SPHK2 Q9NRA0 4/20 0.43
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
SCHEMBL5044306 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5044424 0.91 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5047614 0.86 KDM4E (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5045233 0.86 KDM4E (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5044385 0.85 SPHK1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5044258 0.85 SPHK1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5047736 0.85 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5045817 0.85 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5049037 0.84 NPC1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5045522 0.84 NPC1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed