SCHEMBL22916049

SCHEMBL22916049

CNC1(C)CCN(C(C)C)CCO1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL21599313 0.76 CYP2D6 (0.37) CYP2D6
SCHEMBL25081757 0.75 CYP2D6 (0.36) CYP2D6
SCHEMBL22916025 0.73 CYP2D6 (0.39) CYP2D6
SCHEMBL25081710 0.72 CYP2D6 (0.37) CYP2D6
SCHEMBL29189964 0.72 — —
SCHEMBL29189966 0.72 — —
SCHEMBL12946995 0.71 CYP2D6 (0.39) CYP2D6
SCHEMBL25081798 0.71 CYP2D6 (0.36) CYP2D6
SCHEMBL25159113 0.70 CYP2D6 (0.33) CYP2D6
SCHEMBL10648273 0.70 TSHR (0.31) CYP2D6

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-2021013721-A1 5-AMINO SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 — — WO disclosed
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