SCHEMBL9448767

SCHEMBL9448767

COc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.50
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
BCHE P06276 1/20 0.45
MAPKAPK2 P49137 4/20 0.45
MAPKAPK5 Q8IW41 2/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
HTR6 P50406 3/20 0.43
ALOX15 P16050 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9449052 0.90 KDM4E (0.43) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9448822 0.87 KDM4E (0.47) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9449189 0.86 MCHR1 (0.40) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9448904 0.85 KDM4E (0.41) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9449097 0.85 LMNA (0.40) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9448852 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTALOX15
SCHEMBL9449140 0.83 MAPKAPK2 (0.51) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9449668 0.82 TRPM8 (0.51) HSD17B10KDM4EHPGDMAPKAPK2MAPT
SCHEMBL9448869 0.82 MAPKAPK2 (0.41) MCHR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9449136 0.82 LMNA (0.38) MCHR1HSD17B10KDM4EALDH1A1HPGD

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-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US disclosed