SCHEMBL17853355

SCHEMBL17853355

C=CCCN(C)C1CCN(c2nc(N)n[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 12/20 0.42
▸ CHIT1 Q13231 11/20 0.41

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
SCHEMBL17853347 0.79 CHIA (0.42) CHIACHIT1
SCHEMBL16825846 0.78 CHIA (0.69) CHIACHIT1
SCHEMBL16826076 0.77 CHIA (0.70) CHIACHIT1
SCHEMBL16826006 0.77 CHIA (0.70) CHIACHIT1
SCHEMBL18129147 0.76 CHIA (0.57) CHIACHIT1
Hydrochloric Acid SCHEMBL21638347 0.76 CHIA (0.69) CHIACHIT1
SCHEMBL16825876 0.76 CHIA (0.70) CHIACHIT1
SCHEMBL18129092 0.76 CHIA (0.57) CHIACHIT1
Hydrochloric Acid SCHEMBL21638367 0.75 CHIA (0.69) CHIACHIT1
SCHEMBL16825994 0.75 CHIA (0.50) CHIACHIT1

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
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 — — WO disclosed
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