SCHEMBL6615215

SCHEMBL6615215

CN1C(=O)N(Cc2ccccc2)C(=O)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
HTR1A P08908 2/20 0.45
ATM Q13315 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR3 P51677 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL6617668 0.91 SLC6A4 (0.46) SLC6A4HTR1AATMALDH1A1CCR3
SCHEMBL6616969 0.90 HTR1A (0.44) SLC6A4HTR1AATMCCR3
SCHEMBL6616119 0.88 HTR1A (0.62) SLC6A4HTR1ACCR3MEN1KMT2A
SCHEMBL6613548 0.86 SLC6A4 (0.41) SLC6A4HTR1AATMALDH1A1MEN1
SCHEMBL6614951 0.86 HTR1A (0.51) SLC6A4HTR1AATMALDH1A1CCR3
SCHEMBL6614573 0.86 SLC6A4 (0.51) SLC6A4HTR1AATMALDH1A1CCR3
SCHEMBL6409996 0.85 HTR1A (0.46) SLC6A4HTR1AATMALDH1A1CCR3
SCHEMBL6411821 0.85 HTR1A (0.46) SLC6A4HTR1AATMALDH1A1CCR3
SCHEMBL6614539 0.82 SLC6A4 (0.46) SLC6A4HTR1AATMALDH1A1SLC6A2
SCHEMBL6615686 0.82 SLC6A4 (0.37) SLC6A4HTR1AALDH1A1CCR3DRD2

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