SCHEMBL6615932

SCHEMBL6615932

O=C1CC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)NC(=O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 7/20 0.43
HTR1A P08908 5/20 0.43
ATM Q13315 3/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.41
SLC6A2 P23975 2/20 0.40
CCR3 P51677 1/20 0.38

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
SCHEMBL6615152 0.91 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6613622 0.91 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6615250 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6617023 0.88 HTR1A (0.59) MEN1KMT2ASLC6A4HTR1A
SCHEMBL6616238 0.86 HTR1A (0.49) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6614632 0.86 SLC6A4 (0.40) ALDH1A1SLC6A4HTR1AATMHTT
SCHEMBL6615902 0.85 HTR1A (0.48) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6412009 0.85 SLC6A4 (0.44) ALDH1A1SLC6A4HTR1AATMHTT
SCHEMBL6415354 0.85 SLC6A4 (0.44) ALDH1A1SLC6A4HTR1AATMHTT
SCHEMBL6614584 0.83 HTR1A (0.55) MEN1KMT2ASLC6A4HTR1A

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