SCHEMBL12205170

SCHEMBL12205170

Cc1cc(OCCCC2CCNCC2)ccc1[S+](C)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.42
▸ ITGA2B P08514 14/20 0.42
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AVPR2 P30518 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ CHRM2 P08172 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
SCHEMBL26619760 0.80 ITGB3 (0.45) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
SCHEMBL12205066 0.78 ITGB3 (0.46) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
SCHEMBL12205163 0.78 GPR119 (0.49) ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL1575797 0.77 GPR119 (0.63) —
SCHEMBL13144596 0.76 ITGB3 (0.46) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
SCHEMBL31574984 0.76 ITGB3 (0.50) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
SCHEMBL12205168 0.76 ITGB3 (0.54) ITGB3ITGA2BSLC6A4TDP1ITGAV
SCHEMBL12103493 0.76 ITGB3 (0.53) ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL13534659 0.75 ITGB3 (0.42) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
Hydrochloric Acid SCHEMBL1296299 0.75 ITGB3 (0.52) ITGB3ITGA2BSLC6A4ITGAVCHRM2

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-2377863-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-10-19 — — EP disclosed
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