SCHEMBL6615686

SCHEMBL6615686

CN1C(=O)N(C2CCCCC2)C(=O)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1A P08908 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
PER2 O15055 3/20 0.35
CCR3 P51677 2/20 0.35
DPP4 P27487 1/20 0.35
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
P2RX7 Q99572 2/20 0.33

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
SCHEMBL6614256 0.91 CCR3 (0.39) SLC6A4HTR2AHTR2CHTR1AOPRM1
SCHEMBL6614883 0.89 SLC6A4 (0.43) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6617264 0.87 HTR1A (0.52) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6410415 0.86 PER2 (0.39) SLC6A4HTR2AHTR2CHTR1AOPRM1
SCHEMBL6411836 0.86 P2RX7 (0.39) SLC6A4HTR2AHTR2CHTR1AOPRM1
SCHEMBL6616160 0.86 HTR1A (0.43) SLC6A4HTR1ACCR3ALDH1A1MCOLN3
SCHEMBL6615659 0.86 HTR1A (0.42) SLC6A4HTR1AALDH1A1ACHEHTR4
SCHEMBL6613548 0.83 SLC6A4 (0.41) SLC6A4HTR1AALDH1A1DRD2DRD4
SCHEMBL6613566 0.82 OPRM1 (0.36) SLC6A4HTR2AHTR2CHTR1AOPRM1
SCHEMBL6615215 0.82 SLC6A4 (0.45) SLC6A4HTR1ACCR3ALDH1A1DRD2

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