SCHEMBL6613622

SCHEMBL6613622

O=C1CC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)NC(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 2/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 3/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.42
CCR3 P51677 2/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6616444 0.91 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMSLC6A4
SCHEMBL6615932 0.91 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMSLC6A4
SCHEMBL6612859 0.88 HTR1A (0.60) ALDH1A1MEN1KMT2ASLC6A4HTR1A
SCHEMBL6615657 0.87 HTR1A (0.49) ALDH1A1MEN1KMT2AATMSLC6A4
SCHEMBL6613554 0.86 HTR1A (0.49) ALDH1A1MEN1KMT2AATMSLC6A4
SCHEMBL6614326 0.85 SLC6A4 (0.42) ALDH1A1ATMSLC6A4SLC6A2HTT
SCHEMBL6416394 0.84 ALDH1A1 (0.46) ALDH1A1ATMSLC6A4SLC6A2HTT
SCHEMBL6414736 0.84 ALDH1A1 (0.46) ALDH1A1ATMSLC6A4SLC6A2HTT
SCHEMBL6615152 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMSLC6A4
SCHEMBL6617668 0.81 SLC6A4 (0.46) ALDH1A1ATMSLC6A4SLC6A2HTT

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