SCHEMBL6618151

SCHEMBL6618151

O=C1CC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)NC(=O)N1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.38
SLC6A4 P31645 5/20 0.36
OPRM1 P35372 5/20 0.36
OPRL1 P41146 3/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
SLC6A2 P23975 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.33
PDE9A O76083 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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
SCHEMBL6615278 0.90 HTR1A (0.39) SLC6A4OPRM1OPRL1OPRK1OPRD1
SCHEMBL6613566 0.90 OPRM1 (0.36) CCR3SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6615651 0.88 HTR1A (0.49) CCR3SLC6A4OPRM1OPRK1OPRD1
SCHEMBL6618742 0.86 HTR1A (0.40) SLC6A4HTR1A
SCHEMBL6613564 0.86 HTR1A (0.41) CCR3SLC6A4OPRM1OPRL1HTR1A
SCHEMBL6410308 0.84 CCR3 (0.39) CCR3SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6415111 0.84 CCR3 (0.41) CCR3SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6614256 0.82 CCR3 (0.39) CCR3SLC6A4OPRM1OPRL1OPRK1
SCHEMBL6618608 0.81 SLC6A4 (0.42) SLC6A4SLC6A2HTR1AKCNH2
SCHEMBL6614326 0.80 SLC6A4 (0.42) CCR3SLC6A4SLC6A2HTR1ADRD2

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
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed