SCHEMBL9493976

SCHEMBL9493976

CCc1nc(CC)c(I)c(N)c1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
GAA P10253 1/20 0.31
DHFR P00374 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31

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
SCHEMBL28906562 0.75
SCHEMBL6358662 0.73 HEXA (0.47) DHFRHEXAHEXB
SCHEMBL14949106 0.72 HEXA (0.33) GAADHFRHEXAHEXB
SCHEMBL11866124 0.70 HEXA (0.37) DHFRHEXAHEXB
SCHEMBL1356545 0.70 HEXA (0.42) DHFRHEXAHEXB
SCHEMBL8016425 0.69 MEN1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7284590 0.69 NOS3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9495416 0.68 DHFR (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14127794 0.67 HEXA (0.45) DHFRHEXAHEXB
SCHEMBL3666850 0.65 GAA (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed