SCHEMBL8799276

SCHEMBL8799276

C[C](C)Oc1ccc(Cl)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
VCAM1 P19320 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
PLA2G7 Q13093 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6175873 0.86 MAOB (0.47) NOS2MAOAMAOBVCAM1MRGPRX4
SCHEMBL9034189 0.80 AR (0.43) MAOAMAOBALDH1A1KDM4EUSP2
SCHEMBL29615609 0.79 ALDH1A1 (0.61) NOS2MAOAMAOBVCAM1SLC6A4
SCHEMBL945003 0.79 ALDH1A1 (0.61) NOS2MAOAMAOBVCAM1SLC6A4
SCHEMBL3856445 0.79 NOS2 (0.45) NOS2MAOAMAOBVCAM1MRGPRX4
SCHEMBL31441456 0.78 MAOA (0.61) NOS2MAOAMAOBVCAM1MRGPRX4
SCHEMBL7050401 0.78 MAOA (0.61) NOS2MAOAMAOBVCAM1MRGPRX4
SCHEMBL9034950 0.77 NPC1 (0.51) MAOAMAOBALDH1A1KDM4EUSP2
SCHEMBL10202601 0.76 NOS2 (0.43) NOS2MAOAMAOBVCAM1MRGPRX4
SCHEMBL8799379 0.76 ALDH1A1 (0.38) MAOAMAOBALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed