SCHEMBL18609561

SCHEMBL18609561

CC(C)(C)OC(=O)N1CCC(N2CC(C(C)(C)O)OC[C@@H]2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 13/20 0.62
▸ CHIA Q9BZP6 13/20 0.62
▸ CHI3L1 P36222 9/20 0.62
▸ KCNH2 Q12809 9/20 0.49
▸ CHI3L2 Q15782 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18589341 1.00 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18608044 1.00 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18577414 1.00 CHIT1 (0.62) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL22903696 0.92 KCNH2 (0.58) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL26439042 0.92 KCNH2 (0.58) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18589446 0.91 KCNH2 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18609562 0.91 KCNH2 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18577155 0.91 KCNH2 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL26439359 0.91 CHIT1 (0.51) CHIT1CHIACHI3L1KCNH2
SCHEMBL23169723 0.90 CHIA (0.58) CHIT1CHIACHI3L1KCNH2CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 — — US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 — — WO disclosed
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