SCHEMBL7238307

SCHEMBL7238307

CN(C)c1ccc(CN2CCN(c3ncccc3C(=O)NC(=O)CCc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BCHE P06276 3/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HSD11B1 P28845 1/20 0.43
CHIA Q9BZP6 1/20 0.42
CAPN1 P07384 1/20 0.41
CTSS P25774 1/20 0.41
CXCR3 P49682 1/20 0.41
HTR7 P34969 2/20 0.41
APP P05067 2/20 0.41
ACHE P22303 2/20 0.41
ABCB1 P08183 2/20 0.40
CHRM4 P08173 1/20 0.40

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 0.92 TSHR (0.56) TSHRHSD17B10BCHEHTR3EHTR3B
SCHEMBL7238934 0.88 L3MBTL1 (0.50) TSHRHSD17B10HTR1AHTR7APP
SCHEMBL7243416 0.85 MEN1 (0.52) TSHRHSD17B10BCHECHIAACHE
SCHEMBL7232132 0.83 CHIA (0.49) TSHRHSD17B10BCHEHTR3EHTR3B
SCHEMBL7242857 0.83 CHIA (0.61) TSHRHSD17B10HTR2CCHIACAPN1
SCHEMBL7242231 0.82 TSHR (0.47) TSHRHSD17B10BCHEHTR3EHTR3B
SCHEMBL7241475 0.82 TSHR (0.50) TSHRHSD17B10HSD11B1CHIACAPN1
SCHEMBL7232351 0.82 TSHR (0.58) TSHRHSD17B10HTR1ACHIACAPN1
SCHEMBL7243837 0.82 CAPN1 (0.58) TSHRHSD17B10HTR1ACHIACAPN1
SCHEMBL7239461 0.81 GPR6 (0.48) TSHRHSD17B10BCHEMAPTMAPK1

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