SCHEMBL19678403

SCHEMBL19678403

C=C/C=C\C(=C/C)N(c1ccccc1)c1c2cc(C(C)(C)C)ccc2c(N(c2ccccc2)c2ccccc2)c2cc(C(C)(C)C)ccc12

nearest known ligand 0.33

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
SCHEMBL20052468 0.83 CYP2D6 (0.39) CYP2D6
SCHEMBL11942819 0.79 CYP2D6 (0.44) CYP2D6
SCHEMBL10085749 0.78 KIF11 (0.45) CYP2D6
SCHEMBL13948904 0.76 KIF11 (0.44) CYP2D6
SCHEMBL13250638 0.76 CYP2D6 (0.42) CYP2D6
SCHEMBL20967930 0.75 ALDH1A1 (0.36) CYP2D6
SCHEMBL18400709 0.75 NPSR1 (0.38) —
SCHEMBL18435408 0.74 NR1H2 (0.30) —
SCHEMBL13308964 0.73 TSHR (0.41) CYP2D6
SCHEMBL17407727 0.73 CYP2D6 (0.39) 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-2017210075-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 — — WO disclosed
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