SCHEMBL6617023

SCHEMBL6617023

COc1ccc(Br)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.59
SLC6A4 P31645 18/20 0.59
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6614584 0.95 HTR1A (0.55) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6618507 0.92 HTR1A (0.62) HTR1ASLC6A4
SCHEMBL6616238 0.92 HTR1A (0.49) HTR1ASLC6A4MEN1KMT2A
SCHEMBL6615902 0.91 HTR1A (0.48) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6612859 0.90 HTR1A (0.60) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6615932 0.88 ALDH1A1 (0.44) HTR1ASLC6A4MEN1KMT2A
SCHEMBL6615250 0.87 MEN1 (0.43) HTR1ASLC6A4MEN1KMT2A
SCHEMBL6618113 0.86 HTR1A (0.45) HTR1ASLC6A4MEN1KMT2A
SCHEMBL6618111 0.86 HTR1A (0.47) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6617273 0.86 HTR1A (0.56) HTR1ASLC6A4

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