SCHEMBL6252899

SCHEMBL6252899

COC(=O)C1CCCC[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
EPHX1 P07099 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 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
SCHEMBL4734308 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL3209613 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL6079072 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL3209615 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4483433 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL18603363 0.98 SLC6A2 (0.41) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL334961 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4479086 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL335654 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4479090 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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
WO-2005054180-A1 ANTIAMYLOID PHENYLSULFONAMIDES: N-CYCLOALKYLCARBOXAMIDES DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed