SCHEMBL21078285

SCHEMBL21078285

O=C(c1ccccc1)N1CC2(CCNC2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.64
L3MBTL3 Q96JM7 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
SIGMAR1 Q99720 1/20 0.54
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14742135 0.90 NAMPT (0.66) NAMPTL3MBTL3L3MBTL1SIGMAR1GABRD
SCHEMBL7170178 0.87 NAMPT (0.67) NAMPTL3MBTL3L3MBTL1SIGMAR1HSD17B10
SCHEMBL1914320 0.87 NAMPT (0.60) NAMPTL3MBTL3L3MBTL1SIGMAR1
SCHEMBL6631346 0.86 L3MBTL3 (0.64) NAMPTL3MBTL3L3MBTL1SIGMAR1GABRD
SCHEMBL17888390 0.85 GABRD (0.68) NAMPTL3MBTL3L3MBTL1GABRDGABRA1
SCHEMBL7170182 0.83 NAMPT (0.65) NAMPTSIGMAR1GABRDGABRA1GABRB1
SCHEMBL21078284 0.81 L3MBTL3 (0.58) NAMPTL3MBTL3L3MBTL1GABRDGABRA1
SCHEMBL17886813 0.81 HPGD (0.58) NAMPTL3MBTL3L3MBTL1GABRDGABRA1
SCHEMBL6631344 0.81 HSD17B10 (0.67) NAMPTL3MBTL3L3MBTL1SIGMAR1HSD17B10
SCHEMBL6634031 0.81 NAMPT (0.66) NAMPTSIGMAR1

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed