SCHEMBL436437

SCHEMBL436437

CCCc1cc(N)c2cc(OC(F)(F)F)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN4A P35499 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL441705 0.90 CTSS (0.45) MCHR1NPC1RAB9AHSD17B10GMNN
SCHEMBL437720 0.80 MCHR1 (0.69) MCHR1
SCHEMBL439264 0.79 HSD17B10 (0.64) MCHR1NPC1RAB9AHSD17B10GMNN
SCHEMBL437488 0.77 MCHR1 (0.58) MCHR1
SCHEMBL4264863 0.77 MCHR1 (0.56) MCHR1
SCHEMBL440305 0.75 MCHR1 (0.58) MCHR1
SCHEMBL437444 0.75 MCHR1 (0.60) MCHR1
SCHEMBL437914 0.73 CTSS (0.41) MCHR1CTSSCTSK
SCHEMBL441893 0.72 ACHE (0.44) MCHR1HSD17B10CYP1A2CYP3A4SMN1; SMN2
SCHEMBL441586 0.72 KDM4E (0.60) MCHR1HSD17B10GAASMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed