SCHEMBL4701255

SCHEMBL4701255

NC(=NCCc1ccccc1)NN=Cc1c[nH]c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 16/20 0.84
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.57
HTR1D P28221 1/20 0.57
HTR2C P28335 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL4700992 0.83 RXFP3 (0.66) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4699822 0.81 MAPT (0.63) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4701251 0.77 RAB9A (0.55) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4698350 0.77 MAPT (0.67) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4697181 0.77 RXFP3 (0.52) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4332218 0.76 MAPT (1.00) GAAMAPTCYP1A2CYP3A4NPC1
SCHEMBL8257172 0.76 MAPT (0.74) GAAMAPTCYP1A2CYP3A4NPC1
SCHEMBL7623116 0.76 MAPT (0.74) GAAMAPTCYP1A2CYP3A4NPC1
SCHEMBL7623120 0.76 MAPT (0.74) GAAMAPTCYP1A2CYP3A4NPC1
SCHEMBL4332222 0.76 MAPT (1.00) GAAMAPTCYP1A2CYP3A4NPC1

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
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
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed