SCHEMBL4403130

SCHEMBL4403130

Cc1nc(OCCCC2CCNCC2)ccc1C(=O)N[C@@H]1CCOC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 2/20 0.48
▸ PLAT P00750 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ BTK Q06187 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GABRA1 P14867 4/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL4403111 0.82 ITGB3 (0.42) PLATHPGDSRAB9AEGLN1ITGB3
SCHEMBL2391515 0.80 GABRA5 (0.45) GABRA5HPGDSCSNK2A2CSNK2A1RAB9A
SCHEMBL2393680 0.80 GABRA5 (0.44) GABRA5RAB9AGABRA1KCNH2
SCHEMBL2397226 0.80 GABRA5 (0.44) GABRA5RAB9AGABRA1KCNH2
SCHEMBL4400842 0.79 NNMT (0.49) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL1295961 0.79 DHODH (0.44) ITGB3ITGA2B
SCHEMBL13534650 0.79 GABRA5 (0.40) GABRA5HPGDSBTKCSNK2A2CSNK2A1
SCHEMBL11918183 0.79 GPR119 (0.49) PLATHPGDSRAB9ASCN9AKCNH2
Hydrochloric Acid SCHEMBL1296024 0.78 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL1295825 0.77 GABRA5 (0.43) GABRA5PLATRAB9AITGB3ITGA2B

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-2321308-B9 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-08-08 — — EP disclosed
EP-2321308-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 — — EP disclosed
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