SCHEMBL7239461

SCHEMBL7239461

COc1ccccc1CN1CCN(c2ncccc2C(=O)NC(=O)CCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALOX15 P16050 1/20 0.48
ALPL P05186 2/20 0.47
ALPI P09923 2/20 0.47
ALPG P10696 2/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
BCHE P06276 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL7235837 0.87 TSHR (0.56) TSHRHSD17B10KDM4EMAPTMAPK1
SCHEMBL7238934 0.87 L3MBTL1 (0.50) TSHRHSD17B10KDM4EALDH1A1MAPT
SCHEMBL7241475 0.86 TSHR (0.50) GPR6TSHRHSD17B10KDM4EEPHX2
SCHEMBL7242371 0.85 GPR6 (0.48) GPR6TSHRHSD17B10KDM4EALOX15
SCHEMBL7242857 0.82 CHIA (0.61) TSHRHSD17B10KDM4EALDH1A1MAPT
SCHEMBL7238307 0.81 TSHR (0.48) TSHRHSD17B10ALDH1A1MAPTMAPK1
SCHEMBL7243416 0.81 MEN1 (0.52) TSHRHSD17B10ALDH1A1MAPTBCHE
SCHEMBL7242368 0.81 CAPN1 (0.49) GPR6TSHRKDM4EALOX15EPHX2
SCHEMBL7243837 0.81 CAPN1 (0.58) TSHRHSD17B10KDM4EALOX15ALDH1A1
SCHEMBL7232351 0.81 TSHR (0.58) TSHRHSD17B10KDM4EALDH1A1MAPT

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-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed