SCHEMBL14959720

SCHEMBL14959720

C=C(C)c1nc(CCC)[nH]c1CO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4356818 0.74 GLA (0.35) GLAADORA3ADORA2AADORA1POLB
SCHEMBL2626705 0.73 PIN1 (0.37) GLAPOLB
SCHEMBL606 0.73 PDK2 (0.37) GLAADORA3ADORA2AADORA1POLB
SCHEMBL30296175 0.73 GLA (0.34) GLAADORA3ADORA2AADORA1POLB
SCHEMBL9030763 0.73 GLA (0.34) GLAADORA3ADORA2AADORA1POLB
SCHEMBL9200311 0.66 ADORA3 (0.37) ADORA3ADORA2AADORA1POLB
SCHEMBL9198235 0.65 ADORA3 (0.36) ADORA3ADORA2AADORA1POLB
SCHEMBL11074842 0.64 GLA (0.37) GLAADORA2AADORA1POLB
SCHEMBL4356446 0.64 ALDH1A1 (0.42)
SCHEMBL7572064 0.64 PDK2 (0.36) GLAADORA3ADORA2AADORA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374799-B1 PROCESS FOR THE PREPARATION OF 4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-IMIDAZOLE-5-CARBOXYLATES SHANGHAI INST PHARM INDUSTRY (CN) 2013-05-22 EP disclosed