SCHEMBL14308415

SCHEMBL14308415

CCN(CC)c1ccc(C(C)(c2ccccc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C(C)(c4ccccc4)c4ccc(N(CC)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.46
▸ CNR2 P34972 8/20 0.45
▸ CNR1 P21554 4/20 0.45
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ DHFR P00374 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL14308417 0.90 CNR2 (0.49) CYP2C19CNR2ESR1ESR2NR1H2
SCHEMBL9148067 0.90 ESR1 (0.50) CYP2C19ESR1ESR2MEN1RAB9A
SCHEMBL10942182 0.90 CNR2 (0.52) CNR2ESR1ESR2NR1H2NR1H3
SCHEMBL11107077 0.90 TSHR (0.47) CYP2C19CNR2CNR1MEN1KMT2A
SCHEMBL13778795 0.89 CYP2C19 (0.47) CYP2C19CNR2CNR1NR1H2NR1H3
SCHEMBL13778796 0.89 CNR2 (0.40) CYP2C19CNR2CNR1DHFRMEN1
SCHEMBL13778806 0.88 CYP2C19 (0.61) CYP2C19CNR2CNR1NR1H2NR1H3
SCHEMBL9718481 0.85 CNR2 (0.47) CNR2ESR1ESR2NR1H2NR1H3
SCHEMBL12342193 0.85 CYP2C19 (0.50) CYP2C19CNR2CNR1NR1H2NR1H3
SCHEMBL5494992 0.82 ALDH1A1 (0.54) CYP2C19CNR2NR1H2NR1H3MEN1

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
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 — — US disclosed
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