SCHEMBL20172497

SCHEMBL20172497

CCc1n[nH]c(C(=O)Nc2cccnc2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.53
NAMPT P43490 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK1A Q13627 2/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 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
SCHEMBL20172511 0.85 TRPV1 (0.53) TRPV1NAMPTNPC1RAB9ACYP11B1
SCHEMBL20172513 0.85 MEN1 (0.54) TRPV1NAMPTNPC1RAB9ACYP11B1
SCHEMBL20172442 0.77 NAMPT (0.51) NAMPTCYP11B1CYP11B2CLK2CLK3
SCHEMBL20172431 0.75 RAB9A (0.52) TRPV1NAMPTNPC1RAB9ACYP11B1
SCHEMBL31610950 0.70 TRPV1 (1.00) TRPV1NAMPTNPC1RAB9AMAPK1
SCHEMBL20172493 0.69 TRPV1 (0.68) TRPV1NAMPTNPC1RAB9ACYP11B1
SCHEMBL1723391 0.68 SMN1; SMN2 (0.78) TRPV1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL20172440 0.68 MEN1 (0.53) NAMPTCYP11B1CYP11B2CLK2CLK3
SCHEMBL6354168 0.67 CYP11B1 (1.00) TRPV1NAMPTNPC1RAB9ACYP11B1
SCHEMBL14254934 0.67 CSF1R (0.76) NAMPTCYP11B1CYP11B2MAPTMAPK1

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