SCHEMBL10825455

SCHEMBL10825455

CC(C)NC(=O)N1CCc2nc(N(C(N)=NC3CCCCC3)C3CCCCC3)sc2C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 17/20 0.37
▸ CSNK1E P49674 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL10825515 0.71 RAD52 (0.48) GRM5HRH3
SCHEMBL29397882 0.71 ADRA2A (0.49) GRM5
Dimethylamine SCHEMBL10825447 0.71 DPP4 (0.43) GRM5
SCHEMBL10764703 0.69 GRAMD1A (0.43) MEN1KMT2A
SCHEMBL10825441 0.67 GRM5 (0.38) GRM5MEN1KMT2AHRH3
SCHEMBL30717388 0.66 GRM5 (0.36) GRM5
SCHEMBL976666 0.63 HDAC3 (0.40) GRM5
SCHEMBL10825660 0.62 HDAC2 (0.33) —
SCHEMBL10825418 0.61 POLB (0.44) GRM5
SCHEMBL10756470 0.61 TSHR (0.42) MEN1KMT2A

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-4624956-A Ulcer and gastric secretion inhibiting 4,5,6,7-tetrahydrothiazole[5,4-c]pyridine derivatives FARMITALIA CARLO ERBA (IT) 1986-11-25 — — US disclosed
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