SCHEMBL13534659

SCHEMBL13534659

Bc1c(C)cc(OCCCC2CCNCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.42
▸ ITGA2B P08514 13/20 0.42
▸ AVPR2 P30518 2/20 0.38
▸ AVPR1A P37288 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ CHRM2 P08172 1/20 0.35

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
SCHEMBL4397975 0.81 ITGB3 (0.50) ITGB3ITGA2BSLC6A4ITGAVCHRM2
Hydrochloric Acid SCHEMBL1295959 0.80 ITGB3 (0.49) ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL26619760 0.79 ITGB3 (0.45) ITGB3ITGA2BAVPR2AVPR1ATDP1
SCHEMBL12205066 0.77 ITGB3 (0.46) ITGB3ITGA2BAVPR2AVPR1ATDP1
SCHEMBL12205168 0.77 ITGB3 (0.54) ITGB3ITGA2BTDP1SLC6A4HRH3
SCHEMBL31574984 0.75 ITGB3 (0.50) ITGB3ITGA2BSLC6A4SLC6A2HTR3A
SCHEMBL12103493 0.75 ITGB3 (0.53) ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL12205163 0.75 GPR119 (0.49) ITGB3ITGA2BSLC6A4ITGAVCHRM2
SCHEMBL12205170 0.75 ITGB3 (0.42) ITGB3ITGA2BAVPR2AVPR1ATDP1
SCHEMBL8145514 0.75 ITGB3 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010004343-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 — — WO disclosed
WO-2010004344-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 — — WO disclosed
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