SCHEMBL20172513

SCHEMBL20172513

CCc1n[nH]c(C(=O)Nc2cccnc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TRPV1 Q8NER1 3/20 0.53
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
LMNA P02545 2/20 0.50
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK1A Q13627 2/20 0.49
NAMPT P43490 4/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL20172431 0.87 RAB9A (0.52) MEN1KMT2ATRPV1CYP11B1CYP11B2
SCHEMBL20172497 0.85 TRPV1 (0.53) TRPV1CYP11B1CYP11B2LMNACLK2
SCHEMBL20172511 0.85 TRPV1 (0.53) TRPV1CYP11B1CYP11B2LMNACLK2
SCHEMBL20172440 0.77 MEN1 (0.53) MEN1KMT2ACYP11B1CYP11B2LMNA
SCHEMBL31610950 0.70 TRPV1 (1.00) TRPV1NAMPTNPC1RAB9AMAPK1
SCHEMBL20172493 0.69 TRPV1 (0.68) TRPV1CYP11B1CYP11B2LMNANAMPT
SCHEMBL13188182 0.68 NOTUM (0.63) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL1723391 0.68 SMN1; SMN2 (0.78) TRPV1LMNANPC1RAB9AMAPK1
SCHEMBL20172442 0.68 NAMPT (0.51) MEN1KMT2ACYP11B1CYP11B2LMNA
SCHEMBL30582756 0.67 CYP11B1 (1.00) TRPV1CYP11B1CYP11B2LMNANAMPT

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
EP-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed