SCHEMBL8342104

SCHEMBL8342104

COC(=O)C1=C(C)N(C)C(C)=C(C(C)=O)C1c1cc(F)c(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
NPSR1 Q6W5P4 4/20 0.60
LMNA P02545 2/20 0.60
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 3/20 0.47
HTT P42858 3/20 0.46
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL8441842 0.82 TSHR (0.68) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL8438121 0.82 TSHR (0.41) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL14986931 0.81 TSHR (0.63) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL11863359 0.79 TSHR (0.67) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL8345995 0.77 NPSR1 (0.89) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL8438353 0.76 NPSR1 (0.65) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL14986928 0.76 TSHR (0.75) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL9121128 0.74 TSHR (0.71) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL8165008 0.74 TSHR (0.55) TSHRNPSR1LMNAHSD17B10KDM4E
SCHEMBL8440699 0.73 NPSR1 (0.57) TSHRNPSR1LMNAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942526-A TREATMENT OF NERVOUS SYSTEM DISORDERS; SELECTIVE POTASSIUM CHANNEL MODULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US claimed
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