SCHEMBL7277168

SCHEMBL7277168

CCCc1cc(N)c(C(=O)OC)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39

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
SCHEMBL9496685 0.78 SMN1; SMN2 (0.47) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL3170343 0.73 AGTR1 (0.42) KDM4EKMT2ANOS3NOS2GABRP
SCHEMBL9429719 0.71 CYP3A4 (0.47) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL9429712 0.71 KDM4E (0.43) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL7276894 0.70 NOS2 (0.47) KDM4ENOS3NOS1NOS2BACE1
SCHEMBL2413947 0.70 NPSR1 (0.41) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL11081950 0.70 ALDH1A1 (0.43) KDM4EKMT2ASMN1; SMN2HPGDTSHR
SCHEMBL3191583 0.69 SMN1; SMN2 (0.61) KDM4EKMT2ASMN1; SMN2HPGDTSHR
SCHEMBL7276962 0.69 NOS2 (0.46) KDM4ENOS3NOS1NOS2BACE1
SCHEMBL2804155 0.69 KDM4E (0.55) KDM4EKMT2ANOS3NOS1NOS2

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-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 EP disclosed
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0516392-A2 Naphthyridine derivatives as angiotensin II inhibitors ZENECA LIMITED (GB) 1992-12-02 EP 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