SCHEMBL9218764

SCHEMBL9218764

COC1(c2cccc(OCC#Cc3ccccn3)c2)CCOC1C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.67
GRM5 P41594 11/20 0.55
ADAM17 P78536 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL9124587 0.81 ALOX5 (0.61) ALOX5GRM5ADAM17SLC6A4SLC6A2
SCHEMBL9124584 0.81 ALOX5 (0.61) ALOX5GRM5ADAM17SLC6A4SLC6A2
SCHEMBL9124591 0.81 ALOX5 (0.61) ALOX5GRM5ADAM17SLC6A4SLC6A2
SCHEMBL9213851 0.80 ALOX5 (1.00) ALOX5GRM5
SCHEMBL9224569 0.76 ALOX5 (0.48) ALOX5GRM5
SCHEMBL9224997 0.73 ALOX5 (0.64) ALOX5ADAM17
SCHEMBL5698315 0.73 GRM5 (1.00) ALOX5GRM5
SCHEMBL9022255 0.71 ALOX5 (0.58) ALOX5GRM5ADAM17
SCHEMBL9215709 0.70 ALOX5 (0.77) ALOX5GRM5
SCHEMBL9125850 0.69 ALOX5 (0.49) ALOX5GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed