SCHEMBL9449136

SCHEMBL9449136

Cc1[nH]c2ccc(OC(=O)C(C)(C)C)cc2c1C1CN2CCC1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MAPKAPK2 P49137 5/20 0.38
MAPKAPK5 Q8IW41 2/20 0.38
MAPKAPK3 Q16644 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ELANE P08246 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9449086 0.92 GABRA1 (0.41) LMNASMN1; SMN2HTR1DHTR1BGABRA1
SCHEMBL9449097 0.89 LMNA (0.40) LMNASMN1; SMN2HTR1DMAPKAPK2MAPKAPK5
SCHEMBL9448869 0.86 MAPKAPK2 (0.41) LMNASMN1; SMN2HTR1DHTR1BMAPKAPK2
SCHEMBL9448900 0.85 MAPKAPK2 (0.40) LMNASMN1; SMN2MAPKAPK2MAPKAPK5MAPKAPK3
SCHEMBL9448767 0.82 MCHR1 (0.50) SMN1; SMN2HTR1DMAPKAPK2MAPKAPK5MAPKAPK3
SCHEMBL9449189 0.81 MCHR1 (0.40) MAPKAPK2MAPKAPK5MAPKAPK3MCHR1KDM4E
SCHEMBL9449079 0.80 HTR1D (0.47) HTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9449066 0.80 CYP1A2 (0.40) HTR1DMCHR1GAAHSD17B10
SCHEMBL9448864 0.80 GAA (0.47) LMNASMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL9448822 0.80 KDM4E (0.47) MAPKAPK2MCHR1KDM4EALDH1A1HSD17B10

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