SCHEMBL11038501

SCHEMBL11038501

C=CCN1CCCCC1OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC18A3 Q16572 1/20 0.43
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
OPRD1 P41143 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 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
SCHEMBL26135660 0.83 SCN1A (0.49) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9393233 0.77 NPSR1 (0.48) MEN1KMT2ACHRNA7CHRNB2CHRNA5
SCHEMBL6054496 0.77 PRCP (0.42) CHRM2PRCP
SCHEMBL11124160 0.76 CHRNB2 (0.49) MEN1KMT2ACARM1PRMT6CHRNB2
SCHEMBL14382904 0.76 SLC6A1 (0.42) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8683051 0.72 ALDH1A1 (0.51) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL3262478 0.72 SLC6A9 (0.43) MEN1KMT2AOPRD1
SCHEMBL1795967 0.69 LMNA (0.43) OPRD1PRCP
SCHEMBL1795969 0.69 LMNA (0.43) OPRD1PRCP
SCHEMBL3780879 0.69 HTT (0.48) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116255-A3 TREATMENT OF MIGRAINE WITH N-ALKYL-PIPERIDINYL BENZOATE DERIVATIVES MERRELL DOW FRANCE ET CIE (FR) 1985-11-06 EP disclosed
EP-0116255-A2 Treatment of migraine with N-alkyl-piperidinyl benzoate derivatives MERRELL DOW FRANCE ET CIE (FR) 1984-08-22 EP disclosed
EP-0116255-A2 Treatment of migraine with N-alkyl-piperidinyl benzoate derivatives MERRELL DOW FRANCE ET CIE (FR) 1984-08-22 EP disclosed