SCHEMBL5709333

SCHEMBL5709333

Clc1ccc([C@]2(CCBr)CCc3ccc(Cl)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.43
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
SIGMAR1 Q99720 2/20 0.33
SLC6A9 P48067 1/20 0.33
BCHE P06276 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL5709421 1.00 KDM1A (0.43) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709387 0.86 KDM1A (0.42) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709521 0.86 KDM1A (0.42) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709350 0.83 KDM1A (0.38) KDM1AHTR2AHTR2CSLC6A2SIGMAR1
SCHEMBL5709358 0.82 KDM1A (0.39) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709491 0.82 KDM1A (0.39) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709389 0.82 KDM1A (0.39) KDM1AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL5709415 0.81 KCNK2 (0.41) KDM1ASLC6A9
SCHEMBL5709383 0.78 KCNA5 (0.44) KDM1ASLC6A4SLC6A3SLC6A2SIGMAR1
SCHEMBL27680726 0.78 HSD11B1 (0.43) KDM1ASLC6A4SLC6A3SLC6A2SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed