SCHEMBL9516818

SCHEMBL9516818

OCC1CC1c1ccc(Br)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
KDM1B Q8NB78 2/20 0.43
HTR2C P28335 10/20 0.42
HTR2B P41595 10/20 0.42
HTR2A P28223 7/20 0.40
KCNH2 Q12809 2/20 0.40
SLC5A1 P13866 4/20 0.39
SLC5A2 P31639 4/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 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
SCHEMBL9516824 1.00 KDM1A (0.43) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL21236291 0.84 KDM1A (0.60) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL4893904 0.79 HTR2C (0.66) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL2826045 0.79 HTR2C (0.66) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL2826042 0.79 HTR2C (0.66) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL7959436 0.76 HTR2C (0.68) KDM1AHTR2CHTR2BHTR2ASLC5A1
SCHEMBL7959439 0.76 HTR2C (0.68) KDM1AHTR2CHTR2BHTR2ASLC5A1
SCHEMBL9518913 0.75 SLC6A2 (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A2
SCHEMBL9518907 0.75 SLC6A2 (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A2
SCHEMBL9580445 0.74 SLC6A2 (0.49) HTR2CHTR2BHTR2AKCNH2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed