SCHEMBL17892133

SCHEMBL17892133

NC1CC(c2ccccc2Br)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.59
HTR2C P28335 6/20 0.48
HTR2B P41595 6/20 0.48
HTR2A P28223 5/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
BRD4 O60885 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
HRH3 Q9Y5N1 2/20 0.37
KDM1B Q8NB78 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL29427088 0.77 KDM1A (0.50) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL10046437 0.77 KDM1A (0.50) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL15096162 0.76 KDM1A (0.96) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL19781088 0.75 TP53 (0.47) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL15540897 0.74 KDM1A (0.61) KDM1AHTR2CHTR2BRCOR1KDM1B
Hydrochloric Acid SCHEMBL17766532 0.74 KDM1A (1.00) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL28571106 0.74 BRD4 (0.56) KDM1AHTR2CHTR2BHTR2ASLC6A2
Hydrochloric Acid SCHEMBL16340197 0.74 KDM1A (1.00) KDM1AHTR2CHTR2BHTR2ASLC6A2
Hydrochloric Acid SCHEMBL20187080 0.74 KDM1A (1.00) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL968177 0.73 KDM1A (0.47) KDM1AHTR2CHTR2BHTR2ASLC6A2

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
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed