SCHEMBL11479756

SCHEMBL11479756

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.33
▸ INMT O95050 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FAP Q12884 2/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ PREP P48147 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
SCHEMBL11466286 0.81 GRM5 (0.38) GRM5MAPTALDH1A1KDM4E
SCHEMBL11460317 0.80 GRM5 (0.45) GRM5INMTMAPTALDH1A1KDM4E
SCHEMBL11460318 0.80 GRM5 (0.45) GRM5INMTMAPTALDH1A1KDM4E
SCHEMBL12753020 0.80 GRM5 (0.47) GRM5INMTMAPTRECQLALDH1A1
SCHEMBL11476478 0.78 GRM5 (0.43) GRM5INMTMAPTALDH1A1KDM4E
SCHEMBL11476475 0.78 GRM5 (0.43) GRM5INMTMAPTALDH1A1KDM4E
SCHEMBL17813793 0.74 GRM5 (0.55) GRM5NPSR1INMTMAPTRECQL
SCHEMBL11499554 0.68 INMT (0.41) INMT
SCHEMBL11233767 0.65 GRM5 (0.73) GRM5MAPTALDH1A1KDM4E
SCHEMBL11233774 0.65 GRM5 (0.73) GRM5MAPTALDH1A1KDM4E

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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