SCHEMBL18952148

SCHEMBL18952148

NC1(CCc2ccccc2-c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MC4R P32245 9/20 0.37
DPP4 P27487 1/20 0.37
TACR1 P25103 2/20 0.35
HTR7 P34969 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
S1PR1 P21453 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL18952111 0.84 FFAR1 (0.38) FFAR1FFAR4DPP4HTR7KDM1A
SCHEMBL3904438 0.76 TAAR1 (0.55) HTR2CPTGS2PTGS1FFAR1FFAR4
SCHEMBL14388205 0.73 PPARA (0.46) HTR2CPTGS2PTGS1FFAR1FFAR4
SCHEMBL2472849 0.73 TAAR1 (0.53)
SCHEMBL3723618 0.72 DPP4 (0.69) HTR2CPTGS2PTGS1FFAR1FFAR4
SCHEMBL2470972 0.72 TAAR1 (0.50) KDM1ARCOR1
SCHEMBL2470343 0.70 TAAR1 (0.38) HTR2CFFAR4DPP4
SCHEMBL11994128 0.70 MC4R (0.45) PTGS2FFAR1FFAR4MC4R
SCHEMBL1041243 0.70 PDK2 (0.49) HTR2CPTGS2PTGS1FFAR1FFAR4
SCHEMBL6188684 0.70 FFAR1 (0.50) PTGS2PTGS1FFAR1FFAR4

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-2017097865-A9 COMBINATION OF CALORIC RESTRICTION (CR) OR IGF1/INSULIN RECEPTOR INHIBITOR WITH LSD1 INHIBITOR ISTITUTO EUROPEO DI ONCOLOGIA (IT) 2017-08-31 WO disclosed
WO-2017097865-A1 COMBINATION OF CALORIC RESTRICTION (CR) OR IGF1/INSULIN RECEPTOR INHIBITOR WITH LSD1 INHIBITOR ISTITUTO EUROPEO DI ONCOLOGIA (IT) 2017-06-15 WO disclosed