SCHEMBL16401596

SCHEMBL16401596

[CH2]c1cn(Cc2cccc(F)c2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
ROCK2 O75116 1/20 0.50
PIM1 P11309 1/20 0.50
GSK3B P49841 1/20 0.50
AURKB Q96GD4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRM2 Q14416 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
KCNH2 Q12809 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL16401822 0.83 NOTUM (0.36) SIGMAR1MGAMGAASIMGAM2
SCHEMBL15924647 0.82 NOTUM (0.57) SIGMAR1MGAMGAASIMGAM2
SCHEMBL17283071 0.82 MGAM (0.54) SIGMAR1MGAMGAASIMGAM2
SCHEMBL17961123 0.81 L3MBTL1 (0.61) SIGMAR1MGAMGAASIMGAM2
SCHEMBL16401421 0.81 TYR (0.59) SIGMAR1ROCK2GSK3BAURKBCYP11B1
SCHEMBL16401868 0.81 CD74 (0.48) SMN1; SMN2NPC1RAB9AGBA1
SCHEMBL16401703 0.81 GPR55 (0.55) GAAL3MBTL1ALDH1A1PSEN1PSEN2
SCHEMBL16401906 0.80 HDAC1 (0.49) SIGMAR1MGAMGAASIMGAM2
SCHEMBL16401451 0.80 CYP19A1 (0.61) NPC1RAB9A
SCHEMBL17961125 0.78 SIGMAR1 (0.48) SIGMAR1MGAMGAASIMGAM2

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed