SCHEMBL7422101

SCHEMBL7422101

CCCCOC(=O)N1CCC(O)(c2ccc(OC3CCCC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
PDE4B Q07343 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL16244844 0.82 CCR1 (0.49) CHRM4LMNAPOLBSMN1; SMN2MEN1
SCHEMBL3039425 0.81 GPR119 (0.53) PDE4BMEN1KMT2AHRH3GPR119
SCHEMBL7478597 0.80 MEN1 (0.48) CHRM4SMN1; SMN2MEN1KMT2AOPRD1
SCHEMBL15379831 0.78 LMNA (0.49) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL31112160 0.77 HRH2 (0.49) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL7425816 0.77 SMN1; SMN2 (0.45) CHRM4LMNAPOLBSMN1; SMN2OPRD1
SCHEMBL21996849 0.76 NAMPT (0.50) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL5743393 0.76 HRH3 (0.52) HRH3GPR119
SCHEMBL7485189 0.75 CCR1 (0.45) MEN1KMT2AOPRD1OPRK1HRH1
SCHEMBL1006659 0.75 LMNA (0.45) LMNAPOLBSMN1; SMN2HRH2HRH1

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-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 WO disclosed