SCHEMBL12160383

SCHEMBL12160383

Cc1cc(OCC[C@@H](C)C2CCNCC2)ccc1C(=O)N[C@H](C)CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ VDR P11473 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
SCHEMBL12106786 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL12160456 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL12103606 0.84 MAPK1 (0.41) THRATHRB
SCHEMBL27810440 0.84 MAPK1 (0.41) THRATHRB
Hydrochloric Acid SCHEMBL1295995 0.83 MAPK1 (0.40) THRATHRB
Hydrochloric Acid SCHEMBL1295997 0.83 MAPK1 (0.40) THRATHRB
SCHEMBL1296483 0.81 GPR119 (0.44) ACACBGPR119
SCHEMBL1296480 0.81 GPR119 (0.44) ACACBGPR119
SCHEMBL27830881 0.78 ITGB3 (0.35) ITGB3ITGA2BTHRATHRBHRH3
SCHEMBL2372432 0.78 GPR119 (0.43) ACACBGPR119HRH3

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-2383270-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-11-02 — — EP disclosed
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