SCHEMBL10069996

SCHEMBL10069996

C[C@H]1CNC[C@@H]1c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.51
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
RCOR1 Q9UKL0 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.38
F2RL1 P55085 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL8329871 0.80 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL15372957 0.80 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL15084369 0.78 KDM1A (0.37) KDM1AHTR2AHTR2CHTR2BROCK2
SCHEMBL679857 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL17948233 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL14330231 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL15084368 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL13484227 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL684465 0.77 MAOA (0.47) KDM1AHTR2CRCOR1DRD3
SCHEMBL19385073 0.76 KDM1A (0.50) KDM1AHTR2AHTR2CHTR2BRCOR1

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-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed