SCHEMBL8727003

SCHEMBL8727003

CO[C@H]1CCCC[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.42
KCNH2 Q12809 2/20 0.42
MAOB P27338 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
KDM1B Q8NB78 1/20 0.42
GRIA4 P48058 2/20 0.41
GRIA2 P42262 1/20 0.41
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL22547094 0.81 FABP5 (0.49) SLC6A4SLC6A2
SCHEMBL26240846 0.81 FABP5 (0.49) SLC6A4SLC6A2
SCHEMBL27939779 0.81 KDM1A (0.39) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL26318046 0.80 KDM1A (0.56) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL14804306 0.80 KDM1A (0.56) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL4607042 0.75 GRIA4 (0.43) KDM1AMAOBGRIA4GRIA2SLC6A4
SCHEMBL8829212 0.74 KDM1A (0.51) KDM1AKDM1B
SCHEMBL8215129 0.74 KDM1A (0.51) KDM1AKDM1B
SCHEMBL8726619 0.74 KDM1A (0.51) KDM1AKDM1B
SCHEMBL8726273 0.73 KDM1A (0.39) KDM1AKCNH2MAOBRCOR1KDM1B

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-5853613-A Chiral cyclohexyl compounds SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1998-12-29 US disclosed