SCHEMBL441705

SCHEMBL441705

CCCc1cc(N)c2ccc(OC(F)(F)F)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
SLC6A2 P23975 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL436437 0.90 MCHR1 (0.51) CTSSCTSKNPC1RAB9AGMNN
SCHEMBL441893 0.83 ACHE (0.44) CYP1A2CYP3A4SMN1; SMN2HSD17B10MCHR1
SCHEMBL439523 0.80 MCHR1 (0.57) CTSSCTSKMCHR1
SCHEMBL439632 0.79 NR4A2 (0.54) NPC1RAB9AGMNNUSP2LMNA
SCHEMBL439432 0.77 MCHR1 (0.49) MCHR1
SCHEMBL437548 0.75 MCHR1 (0.49) MCHR1
SCHEMBL439615 0.75 NR4A2 (0.59) MCHR1
SCHEMBL437914 0.73 CTSS (0.41) CTSSCTSKMCHR1
SCHEMBL441586 0.72 KDM4E (0.60) GAASMN1; SMN2HSD17B10MCHR1MAPK1
SCHEMBL23283481 0.72 ACHE (0.46) NPC1RAB9ALMNACYP3A4SMN1; SMN2

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