SCHEMBL7652878

SCHEMBL7652878

CCC(I)C(=O)Nc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
KCNQ2 O43526 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL7651298 0.88 TAS1R3 (0.40) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7654892 0.82 MDM4 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7646570 0.81 KMT2A (0.47) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7650188 0.81 TSHR (0.36) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7648457 0.81 ALDH1A1 (0.37) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1880904 0.78 MDM4 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16935687 0.77 MDM4 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7649848 0.76 TAS1R3 (0.40) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7654173 0.76 TAS1R3 (0.38) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7649860 0.76 MDM4 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed