SCHEMBL8697456

SCHEMBL8697456

[NH]CC(O)c1ccc(N)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
NNMT P40261 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2201846 0.84 TAAR1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9877092 0.81 LMNA (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23655471 0.77 NOS3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23377250 0.75 SLC2A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27617186 0.74 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6469008 0.74 NOS3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9769230 0.73 ADRB2 (0.51) SMN1; SMN2KDM4ETSHRNFKB1HIF1A
SCHEMBL9769240 0.73 ADRB2 (0.51) SMN1; SMN2KDM4ETSHRNFKB1HIF1A
Hydrochloric Acid SCHEMBL9769338 0.73 ADRB2 (0.53) KDM4ETSHRNFKB1HIF1AALDH1A1
SCHEMBL23815821 0.72 NOS3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed