SCHEMBL5046496

SCHEMBL5046496

CCCCCCCCCCCc1noc(-c2cccc(C[NH+]([O-])Cc3ccccc3C(F)(F)F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.41
SPHK2 Q9NRA0 7/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR1 P21453 1/20 0.36
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5040965 0.90 ALDH1A1 (0.44) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL5039871 0.88 SPHK1 (0.42) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL4972282 0.87 SPHK1 (0.42) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL5048811 0.85 SPHK1 (0.42) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL1858451 0.84 SPHK1 (0.41) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL6719952 0.83 SPHK1 (0.39) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL5044449 0.82 ALDH1A1 (0.41) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL5039861 0.81 SPHK1 (0.42) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL1852681 0.79 SPHK1 (0.42) SPHK1SPHK2ALDH1A1CHRM2CHRM4
SCHEMBL1855933 0.77 SPHK1 (0.36) SPHK1SPHK2ALDH1A1CHRM2CHRM4

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 2 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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed