SCHEMBL1556579

SCHEMBL1556579

Oc1cc(C2CCNCC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
QDPR P09417 1/20 0.41
KMO O15229 1/20 0.40
USP7 Q93009 3/20 0.39
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
PLAT P00750 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
PLG P00747 1/20 0.33
KIT P10721 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CHRM4 P08173 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
SCHEMBL29878478 0.86 KMO (0.46) KMO
SCHEMBL8167996 0.86 KMO (0.46) KMO
SCHEMBL22121890 0.82 KMO (0.51) HRH4KMO
Tert-Butyl Formate SCHEMBL27841239 0.82 KMO (0.33) HRH4QDPRKMOUSP7PLAT
SCHEMBL23875068 0.78 HRH4 (0.42) HRH4KMOGABRA1KITCHRM4
SCHEMBL13934265 0.78 HRH4 (0.42) HRH4QDPRKMOUSP7SLC18A3
SCHEMBL25147466 0.78 PIK3CD (0.41) KMOCHRM4RPS6KA3
Hydrochloric Acid SCHEMBL4484147 0.76 HRH4 (0.41) HRH4KMOUSP7SLC18A3SIGMAR1
SCHEMBL14990759 0.74 HTR2C (0.41) HRH4PLAT
SCHEMBL13294930 0.73 MIF (0.46) HRH4KMOSLC18A3SIGMAR1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303859-A2 ARYL GPR119 AGONISTS AND USES THEREOF Metabolex Inc. (US) 2011-04-06 EP disclosed
WO-2010008739-A2 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-01-21 WO disclosed