SCHEMBL6614883

SCHEMBL6614883

CN1C(=O)N(C2CCCCC2)C(=O)CC1CN1CCC(Cc2cc(F)ccc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.43
HTR1A P08908 14/20 0.43
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL6615686 0.89 SLC6A4 (0.37) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6617713 0.89 HTR1A (0.43) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6612883 0.87 SLC6A4 (0.53) SLC6A4HTR1A
SCHEMBL6412730 0.86 SLC6A4 (0.43) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6411636 0.86 SLC6A4 (0.43) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6615550 0.86 HTR1A (0.47) SLC6A4HTR1A
SCHEMBL6612927 0.86 HTR1A (0.49) SLC6A4HTR1A
SCHEMBL6614583 0.83 SLC6A4 (0.42) SLC6A4HTR1A
SCHEMBL6615493 0.82 SLC6A4 (0.39) SLC6A4HTR1AOPRM1OPRK1OPRL1
SCHEMBL6616969 0.81 HTR1A (0.44) SLC6A4HTR1A

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