SCHEMBL2760902

SCHEMBL2760902

Cc1ncc(CC(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
CA2 P00918 1/20 0.43
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7017455 0.80 GABRP (0.52) HTTCA2GABRPGABRDGABRA1
SCHEMBL23374479 0.78 CA2 (0.43) HTTCA2GABRPGABRDGABRA1
SCHEMBL30452033 0.78 TSHR (0.49) HTTCA2GABRPGABRDGABRA1
SCHEMBL25651472 0.78 CA2 (0.39) HTTCA2GABRPGABRDGABRA1
SCHEMBL2434548 0.78 KDM4E (0.38) ALDH1A1RAB9AL3MBTL1GRM2
SCHEMBL2500952 0.78 TSHR (0.49) HTTCA2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL17873669 0.76 TSHR (0.47) HTTCA2GABRPGABRDGABRA1
SCHEMBL20037763 0.76 HTT (0.43) HTTCA2
SCHEMBL10064185 0.75 HSP90AB1 (0.50) HTTALDH1A1RAB9A
SCHEMBL20878636 0.75 HTT (0.42) HTTCA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed
EP-3744721-A1 CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM Shionogi & Co., Ltd (JP) 2020-12-02 EP disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed