SCHEMBL23865693

SCHEMBL23865693

CN1CCNCC1CN(C=O)CC(C)(C)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL7361707 0.76 TSHR (0.33) TSHR
SCHEMBL29701224 0.74 TSHR (0.30) TSHR
SCHEMBL20942324 0.71 HRH3 (0.35)
SCHEMBL29701240 0.70
SCHEMBL24310949 0.70 TSHR (0.47) TSHR
SCHEMBL1176768 0.70 TSHR (0.47) TSHR
SCHEMBL20942316 0.69 HTR2A (0.35)
SCHEMBL22145022 0.69
Hydrochloric Acid SCHEMBL1184612 0.69 TSHR (0.46) TSHR
SCHEMBL26371301 0.68 PARP1 (0.36)

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
EP-3416966-B1 PROCESS FOR THE PREPARATION OF [7-[[4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]ALKYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2021-09-29 EP disclosed