SCHEMBL4699088

SCHEMBL4699088

C=[N+](NC(=N)NCCc1c(C)[nH]c2ccc(OC)cc12)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.53
MTNR1B P49286 6/20 0.53
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
ALOX12 P18054 2/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
TDP1 Q9NUW8 1/20 0.49
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4701022 0.86 MTNR1A (0.49) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4697189 0.75 MTNR1A (0.60) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4701252 0.75 NPC1 (0.49) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20258596 0.74 MTNR1A (0.67) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL6026161 0.74 MTNR1A (0.56) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4700115 0.73 HTR1A (0.45) MTNR1AMTNR1BMAPTSMN1; SMN2LMNA
SCHEMBL6026754 0.71 IDO1 (0.41) MAPTHTTMEN1KMT2ATDP1
SCHEMBL4698600 0.71 GPR84 (0.47) MTNR1AMTNR1BMAPTSMN1; SMN2LMNA
SCHEMBL8946916 0.71 MTNR1A (1.00) MTNR1AMTNR1BMAPTHTTMEN1
SCHEMBL31543713 0.71 MTNR1A (1.00) MTNR1AMTNR1BMAPTHTTMEN1

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
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