SCHEMBL18357365

SCHEMBL18357365

Cn1c2cnccc2c2c1ccc1c3ccccc3n(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
TOP2A P11388 1/20 0.50
GPR3 P46089 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 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
SCHEMBL2741407 0.86 GPR3 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30929605 0.84 GPR3 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29358773 0.84 GPR3 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL280032 0.84 GPR3 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18381764 0.83 GPR3 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL3333705 0.83 GPR3 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10206124 0.79 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25053472 0.79 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25053189 0.79 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25703672 0.78 ALKBH5 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687530-B1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-07-11 EP disclosed
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 US disclosed