SCHEMBL4400842

SCHEMBL4400842

Cc1nc(OCCCC2CCNCC2)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.49
▸ ITGB3 P05106 8/20 0.41
▸ ITGA2B P08514 8/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ AVPR2 P30518 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ FAAH O00519 1/20 0.38

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
Hydrochloric Acid SCHEMBL1295961 0.88 DHODH (0.44) ITGB3ITGA2BAVPR2AVPR1ADHODH
SCHEMBL1295825 0.86 GABRA5 (0.43) ITGB3ITGA2BAVPR2AVPR1A
Hydrochloric Acid SCHEMBL1296024 0.81 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL1295860 0.80 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL1295857 0.80 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL4400810 0.80 AVPR2 (0.41) ITGB3ITGA2BCHEK2AVPR2AVPR1A
SCHEMBL4403130 0.79 GABRA5 (0.48) ITGB3ITGA2B
SCHEMBL1296418 0.78 GPR119 (0.48) NNMT
SCHEMBL12103678 0.78 ITGB3 (0.42) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL12106765 0.78 ITGB3 (0.49) ITGB3ITGA2BCHEK2DHODH

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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