SCHEMBL5370995

SCHEMBL5370995

NC(=O)N(CC(c1ccccc1)c1ccccc1)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
SLC6A3 Q01959 3/20 0.38
CYP2C19 P33261 3/20 0.38
DRD3 P35462 2/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
EDNRB P24530 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4797271 0.78 NPC1 (0.50) SMN1; SMN2ALDH1A1GLATSHRHTT
SCHEMBL7624337 0.74 ALDH1A1 (0.47) CYP2C19LMNAMAPK1HTR2AHRH1
SCHEMBL7701538 0.73 ALDH1A1 (0.46) ALDH1A1GLATSHRHTT
SCHEMBL16296762 0.73 TP53 (0.30) ALDH1A1GLATSHR
SCHEMBL4798849 0.72 NPSR1 (0.52) ALOX5CYP2C19TDP1SMN1; SMN2NPSR1
SCHEMBL16278131 0.71 MLYCD (0.34) CYP2C19SMN1; SMN2
SCHEMBL609514 0.70 ALDH1A1 (0.43) ALOX5CYP2C19PKMSMN1; SMN2NPSR1
SCHEMBL6605814 0.70 TP53 (0.39) CYP2C19DRD3DRD2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27494938 0.70 ALDH1A1 (0.47) ALOX5CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL4717191 0.69 PARP10 (0.42) ALOX5CYP2C19PKMSMN1; SMN2ALDH1A1

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
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO claimed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO disclosed