SCHEMBL4403111

SCHEMBL4403111

Cc1cc(OCCCC2CCNCC2)ccc1C(=O)N[C@@H]1CCOC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.42
▸ ITGA2B P08514 8/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ PLAT P00750 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ FASN P49327 1/20 0.39

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
SCHEMBL11918141 0.94 ITGB3 (0.44) ITGB3ITGA2BRAB9AGPR119KMT2A
SCHEMBL4400660 0.93 ITGB3 (0.43) ITGB3ITGA2BGPR119KMT2A
SCHEMBL11918183 0.89 GPR119 (0.49) ITGB3ITGA2BHPGDSRAB9AGPR119
SCHEMBL12160436 0.83 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL4403130 0.82 GABRA5 (0.48) ITGB3ITGA2BEGLN1HPGDSRAB9A
SCHEMBL13534631 0.81 GPR119 (0.62) EGLN1HPGDSRAB9AGPR119FASN
SCHEMBL12106843 0.81 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL2391570 0.81 GPR119 (0.52) EGLN1HPGDSGPR119FASN
SCHEMBL2391566 0.81 GPR119 (0.52) EGLN1HPGDSGPR119FASN
Hydrochloric Acid SCHEMBL1295876 0.81 ITGB3 (0.43) ITGB3ITGA2B

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
Send feedback