SCHEMBL4698441

SCHEMBL4698441

C=[N+](NC(=N)NCCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL4702925 0.87 NPC1 (0.44) SMN1; SMN2RAB9ANPC1TRPV1MAPT
SCHEMBL4700184 0.74 RAB9A (0.43) SMN1; SMN2RAB9ANPC1SIGMAR1MAPT
SCHEMBL16993706 0.73 PLAU (0.49) SMN1; SMN2SIGMAR1MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL5703010 0.72 PLAU (0.47) SMN1; SMN2SIGMAR1MAPTALDH1A1MEN1
SCHEMBL4701252 0.69 NPC1 (0.49) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL13584139 0.69 NPC1 (0.59) SMN1; SMN2RAB9ANPC1TAAR1CA12
SCHEMBL4698438 0.68 LMNA (0.51) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL3926232 0.67 NPC1 (0.57) SMN1; SMN2RAB9ANPC1TAAR1CA12
Hydrochloric Acid SCHEMBL13585003 0.67 NPC1 (0.57) SMN1; SMN2RAB9ANPC1TAAR1CA12
SCHEMBL3916719 0.66 NPC1 (0.55) SMN1; SMN2RAB9ANPC1TAAR1CA12

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-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed