SCHEMBL6614539

SCHEMBL6614539

CN1C(=O)N(Cc2ccccc2)C(=O)CC1CN1CCC(Cc2cc(Cl)ccc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.46
HTR1A P08908 9/20 0.46
ATM Q13315 2/20 0.41
SLC6A2 P23975 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B2 P37059 1/20 0.39
ACHE P22303 1/20 0.39

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) SLC6A4HTR1AATMSLC6A2ALDH1A1
SCHEMBL6616969 0.90 HTR1A (0.44) SLC6A4HTR1AATM
SCHEMBL6618489 0.89 HTR1A (0.61) SLC6A4HTR1A
SCHEMBL6616780 0.87 HTR1A (0.50) SLC6A4HTR1A
SCHEMBL6614593 0.87 HTR1A (0.50) SLC6A4HTR1A
SCHEMBL6614469 0.86 SLC6A4 (0.42) SLC6A4HTR1AATMSLC6A2
SCHEMBL6419396 0.85 SLC6A4 (0.47) SLC6A4HTR1AATMSLC6A2ALDH1A1
SCHEMBL6414869 0.85 SLC6A4 (0.47) SLC6A4HTR1AATMSLC6A2ALDH1A1
SCHEMBL6615215 0.82 SLC6A4 (0.45) SLC6A4HTR1AATMSLC6A2ALDH1A1
SCHEMBL6617713 0.82 HTR1A (0.43) SLC6A4HTR1AALDH1A1

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