SCHEMBL9124584

SCHEMBL9124584

CO[C@H]1CCC[C@@]1(OC)c1cccc(OCC#Cc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.61
GRM5 P41594 10/20 0.55
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
OPRM1 P35372 1/20 0.39
CYP1A2 P05177 1/20 0.33
ADAM17 P78536 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
SCHEMBL9124591 1.00 ALOX5 (0.61) ALOX5GRM5SLC6A4SLC6A2OPRM1
SCHEMBL9124587 1.00 ALOX5 (0.61) ALOX5GRM5SLC6A4SLC6A2OPRM1
SCHEMBL9125850 0.88 ALOX5 (0.49) ALOX5GRM5CYP1A2
SCHEMBL9218764 0.81 ALOX5 (0.67) ALOX5GRM5SLC6A4SLC6A2OPRM1
SCHEMBL9123685 0.77 SLC6A4 (0.47) ALOX5SLC6A4SLC6A2OPRM1
SCHEMBL9123689 0.77 SLC6A4 (0.47) ALOX5SLC6A4SLC6A2OPRM1
SCHEMBL9123695 0.77 SLC6A4 (0.47) ALOX5SLC6A4SLC6A2OPRM1
SCHEMBL9213851 0.76 ALOX5 (1.00) ALOX5GRM5
SCHEMBL9356426 0.75 ALOX5 (0.41) ALOX5GRM5SLC6A4SLC6A2OPRM1
SCHEMBL9352785 0.74 ALOX5 (0.44) ALOX5GRM5SLC6A4SLC6A2OPRM1

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-0385663-B1 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
US-5350754-A Heterocyclic cycloalkanes ZENECA LIMITED (GB) 1994-09-27 US claimed
EP-0385663-B1 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
US-5446043-A Antiallergens, antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-29 US disclosed
US-5350754-A Heterocyclic cycloalkanes ZENECA LIMITED (GB) 1994-09-27 US disclosed
US-5217977-A Lipoxygenase inhibitor for treating diseases medicated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed