SCHEMBL6150894

SCHEMBL6150894

Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN([C@H]3CCCCC3c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 3/20 0.43
SLC6A9 P48067 3/20 0.42
CHRM2 P08172 7/20 0.42
CHRM3 P20309 7/20 0.42
SLC6A5 Q9Y345 2/20 0.41
CCR5 P51681 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL27625963 0.83 SLC6A9 (0.44) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL27625962 0.83 SLC6A9 (0.44) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL6151344 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL6150897 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL5375448 0.78 OPRM1 (0.41) MEN1KMT2ASLC6A9SLC6A5OPRM1
SCHEMBL5375451 0.78 OPRM1 (0.41) MEN1KMT2ASLC6A9SLC6A5OPRM1
SCHEMBL28758537 0.75 SLC6A2 (0.46) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL28758536 0.75 SLC6A2 (0.46) MEN1KMT2AALDH1A1SLC6A9CHRM2
SCHEMBL27626122 0.75 CHRM2 (0.48) MEN1KMT2ASLC6A9CHRM2CHRM3
SCHEMBL27626119 0.75 CHRM2 (0.48) MEN1KMT2ASLC6A9CHRM2CHRM3

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-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed