SCHEMBL11459142

SCHEMBL11459142

CC(=O)CC(=O)N=C1SCCN1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.45
▸ INMT O95050 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11459141 1.00 GRM5 (0.45) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11460317 0.84 GRM5 (0.45) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11460318 0.84 GRM5 (0.45) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11479756 0.83 GRM5 (0.42) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11476475 0.81 GRM5 (0.43) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11476478 0.81 GRM5 (0.43) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL12753020 0.80 GRM5 (0.47) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL17813793 0.77 GRM5 (0.55) GRM5INMTALDH1A1KDM4EALOX15
SCHEMBL11233767 0.68 GRM5 (0.73) GRM5ALDH1A1KDM4EMAPTLMNA
SCHEMBL11233774 0.68 GRM5 (0.73) GRM5ALDH1A1KDM4EMAPTLMNA

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-4181661-A SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS MERCK & CO., INC. (US) 1980-01-01 — — US disclosed
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