SCHEMBL6615902

SCHEMBL6615902

CC(C)Oc1ccc(Br)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.48
SLC6A4 P31645 15/20 0.48
CYP2D6 P10635 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.39
ATM Q13315 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
SCHEMBL6615246 0.92 HTR1A (0.51) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6613554 0.91 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6617023 0.91 HTR1A (0.59) HTR1ASLC6A4MEN1KMT2APOLB
SCHEMBL6616238 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6618111 0.89 HTR1A (0.47) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6411094 0.87 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6411606 0.87 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL6618081 0.87 HTR1A (0.46) HTR1ASLC6A4CYP2D6
SCHEMBL6614584 0.86 HTR1A (0.55) HTR1ASLC6A4MEN1KMT2APOLB
SCHEMBL6615932 0.85 ALDH1A1 (0.44) HTR1ASLC6A4MEN1KMT2AALDH1A1

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