SCHEMBL8345995

SCHEMBL8345995

COC(=O)C1=C(C)N(C)C(C)=C(C(C)=O)C1c1ccc(Cl)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.89
HPGD P15428 4/20 0.89
KDM4E B2RXH2 3/20 0.89
TSHR P16473 5/20 0.68
HSD17B10 Q99714 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
LMNA P02545 3/20 0.57
GPBAR1 Q8TDU6 1/20 0.57
HTT P42858 2/20 0.56
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.49
CASP1 P29466 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
CASP7 P55210 1/20 0.49
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14986926 0.94 NPSR1 (1.00) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL8437325 0.90 KDM4E (0.69) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL8441842 0.86 TSHR (0.68) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL11863359 0.86 TSHR (0.67) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL8438353 0.85 NPSR1 (0.65) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL14987375 0.82 TSHR (0.79) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL8438113 0.82 HPGD (0.60) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL8440174 0.82 TSHR (0.61) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL14987372 0.80 TSHR (0.75) NPSR1HPGDKDM4ETSHRHSD17B10
SCHEMBL9120916 0.80 TSHR (0.75) NPSR1HPGDKDM4ETSHRHSD17B10

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
EP-0717036-B1 Use of 5-acyl-1,4-dihydropyridines for the treatment of diseases of the CNS BAYER AG (DE) 1999-03-17 EP claimed
US-5646166-A POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US claimed
CN-1130505-A Use of 5-acyl-1,4-dihydropyridines BAYER AG (DE) 1996-09-11 CN claimed
US-5942526-A TREATMENT OF NERVOUS SYSTEM DISORDERS; SELECTIVE POTASSIUM CHANNEL MODULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
US-5646166-A POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed