SCHEMBL11619232

SCHEMBL11619232

Clc1ccc(SCCCBr)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 2/20 0.34
SLC6A4 P31645 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CCR2 P41597 1/20 0.33
HSD11B1 P28845 1/20 0.33
MPI P34949 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11622720 0.82 HTR7 (0.59) HTR7CYP1A2PTGS2MAPK1ALDH1A1
SCHEMBL11620914 0.77 HTR7 (0.57) HTR7CYP1A2PTGS2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL11622342 0.75 ALDH1A1 (0.50) TDP1KMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11619893 0.73 CNR2 (0.36) TDP1KDM4EALDH1A1MPI
Hydrochloric Acid SCHEMBL11619889 0.73 BCHE (0.39) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL11619174 0.72 PTGDR2 (0.60) PTGDR2KMT2AMEN1MAPK1
SCHEMBL11618301 0.71 PTGDR2 (0.58) PTGDR2
SCHEMBL7093315 0.71 PTGS2 (0.43) HTR7KMT2AMEN1PTGS2MAPK1
SCHEMBL24871308 0.70 ALDH1A1 (0.47) PTGDR2TDP1KMT2AMEN1CYP1A2
SCHEMBL21281979 0.70 KDM4E (0.39) HTR7PTGDR2TDP1KMT2AMEN1

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
US-4074998-A USING A SUBSTITUTED PHENOXYALKYLAMINE OR PHENYLTHIOALKYLAMINE ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed