SCHEMBL9988299

SCHEMBL9988299

c1ccc2c(c1)Cc1c(-c3ccc(-c4cccc5c4Cc4ccccc4-5)nc3)cccc1-2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
CHEK1 O14757 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDR P35968 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM1A O60341 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
SCHEMBL25307705 0.91 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL483647 0.78 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.76 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.76 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28843845 0.76 DRD2 (0.42) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL441982 0.76 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28928665 0.75 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31498305 0.75 CYP11B1 (0.52) PNMTNPC1RAB9A
SCHEMBL70992 0.75 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29809707 0.75 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B

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-20110306922-A1 LIGHT-EMITTING DEVICES FOR PHOTOTHERAPY NITTO DENKO CORPORATION (JP) 2011-12-15 US claimed
US-20110306922-A1 LIGHT-EMITTING DEVICES FOR PHOTOTHERAPY NITTO DENKO CORPORATION (JP) 2011-12-15 US disclosed