SCHEMBL21077977

SCHEMBL21077977

CCc1ccc(C(=O)N2CCC3(CCCNC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
NAMPT P43490 4/20 0.50
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL17888472 0.92 GABRD (0.61) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL17888334 0.89 NAMPT (0.56) L3MBTL3L3MBTL1NAMPTHSD17B10ALDH1A1
SCHEMBL17888418 0.86 GABRD (0.71) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL6634743 0.83 HSD17B10 (0.60) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL17886797 0.82 HPGD (0.61) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL21078284 0.81 L3MBTL3 (0.58) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL19226553 0.80 GABRD (0.61) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL17888477 0.79 GABRD (0.64) L3MBTL3L3MBTL1GABRDGABRA1GABRB1
SCHEMBL10260239 0.78 SIGMAR1 (0.62) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL16565827 0.78 GABRD (0.84) L3MBTL3L3MBTL1GABRDGABRA1GABRB1

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