SCHEMBL6207462

SCHEMBL6207462

c1coc(N(c2ccco2)C2CCNCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.36
SLC6A2 P23975 7/20 0.36
CHRM5 P08912 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH1 P35367 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC6A3 Q01959 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21047728 0.76 KMT2A (0.36) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL3837450 0.68 SLC6A2 (0.62) SLC6A4SLC6A2SLC18A3SIGMAR1HRH1
SCHEMBL4558469 0.67 HTR1A (0.36) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL8372303 0.67 CHRM5 (0.52) CHRM5CHRM3CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL18263847 0.67 SLC6A2 (0.60) SLC6A4SLC6A2SLC18A3SIGMAR1HRH1
SCHEMBL9934196 0.63 HTR2C (0.44) SLC18A3SIGMAR1HTR2C
SCHEMBL6534546 0.63 ADORA2A (0.42) SLC6A4SLC6A2CHRM5CHRM3CHRM1
SCHEMBL31370607 0.63 GBA1 (0.52) SLC6A4CHRM5CHRM3CHRM1CHRM2
SCHEMBL1477408 0.62 TP53 (0.41) MEN1LMNAKMT2ANISCHKDM4E
SCHEMBL25389560 0.62 TACR1 (0.50) SLC6A4SLC6A2SIGMAR1SLC6A3HTR2C

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-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO disclosed