SCHEMBL23280814

SCHEMBL23280814

C=C/C(=C\C=C/C)N(c1ccccc1)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL18400777 0.86 NPSR1 (0.36) NPSR1TRPM8
SCHEMBL11932372 0.82 TRPM8 (0.40) NPSR1TRPM8
SCHEMBL16500988 0.80 NPSR1 (0.34) NPSR1TRPM8
SCHEMBL20814556 0.79 TRPM8 (0.38) CYP3A4TRPM8
SCHEMBL21574238 0.78 NPSR1 (0.31) NPSR1
SCHEMBL13304055 0.77 — —
SCHEMBL21168402 0.76 SIGMAR1 (0.44) CYP3A4
SCHEMBL13177385 0.76 ALDH1A1 (0.36) CYP3A4LMNA
SCHEMBL20433997 0.75 FAAH (0.42) LMNA
SCHEMBL21004196 0.75 CYP3A4 (0.36) CYP3A4LMNATRPM8

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
EP-3109914-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORP (JP) 2021-04-28 — — EP disclosed
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