SCHEMBL29760194

SCHEMBL29760194

C[C@H]1CCCN1CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
EPHX1 P07099 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.44
CACNA1H O95180 1/20 0.44
MLLT1 Q03111 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 2/20 0.42

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
SCHEMBL28316678 1.00 HRH3 (0.51) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL29759987 1.00 HRH3 (0.51) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL24951714 0.96 ACHE (0.53) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL24951474 0.96 ACHE (0.53) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL18851285 0.91 ACHE (0.54) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL18233673 0.85 EPHX1 (0.45) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL18851365 0.83 EPHX1 (0.46) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL18851364 0.83 EPHX1 (0.46) HRH3ACHEBACE1EPHX1MEN1
SCHEMBL20545129 0.83 EPHX1 (0.46) HRH3EPHX1MEN1KMT2ATSHR
SCHEMBL17625378 0.83 EPHX1 (0.46) HRH3ACHEBACE1EPHX1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed