SCHEMBL8726273

SCHEMBL8726273

CCCC1CC[C@H](c2ccc(Br)cc2)[C@@H](OC)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
KCNH2 Q12809 2/20 0.39
MAOB P27338 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
KDM1B Q8NB78 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 3/20 0.34

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
SCHEMBL8726274 1.00 KDM1A (0.39) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL10554340 0.87 KDM1A (0.45) KDM1AMAOBHTR2CSLC6A4SLC6A3
SCHEMBL10552265 0.87 SLC6A3 (0.38) KDM1ASLC6A3CYP2C9
SCHEMBL10554664 0.86 SLC6A3 (0.40) MAOBSLC6A3CYP2C9
SCHEMBL10555395 0.85 SLC6A2 (0.39) KDM1AMAOBHTR2CSLC6A4SLC6A3
SCHEMBL10552991 0.83 SLC6A3 (0.42) SLC6A3
SCHEMBL10549900 0.83 KDM1A (0.36) KDM1AKCNH2MAOBSLC6A4SLC6A3
SCHEMBL10550758 0.83 ALDH1A1 (0.40) MAOB
SCHEMBL10605271 0.82 SPHK1 (0.43) SLC6A3
SCHEMBL10605267 0.82 SPHK1 (0.43) SLC6A3

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