SCHEMBL14308418

SCHEMBL14308418

Cc1ccc(N(c2ccc(C)cc2)c2ccc(CC(c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)c3ccc(C(C)(c4ccc(N(Cc5ccccc5)Cc5ccccc5)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.55
▸ NR1H2 P55055 4/20 0.41
▸ NR1H3 Q13133 4/20 0.41
▸ CNR2 P34972 11/20 0.41
▸ CNR1 P21554 5/20 0.41
▸ TSHR P16473 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14283648 0.91 CYP2C19 (0.66) CYP2C19NR1H2NR1H3CNR2CNR1
SCHEMBL13778806 0.83 CYP2C19 (0.61) CYP2C19NR1H2NR1H3CNR2CNR1
SCHEMBL10633353 0.82 CYP2C19 (0.50) CYP2C19CNR2CNR1NPSR1
SCHEMBL13308481 0.80 SLC6A2 (0.44) CYP2C19CNR2CNR1NPSR1
SCHEMBL14283625 0.79 CNR2 (0.48) CYP2C19CNR2CNR1TSHR
SCHEMBL12346035 0.79 SLC6A2 (0.46) CYP2C19CNR2CNR1NPSR1
SCHEMBL15159187 0.79 CYP2C19 (0.89) CYP2C19NR1H2NR1H3CNR2CNR1
SCHEMBL14283606 0.78 CNR2 (0.47) CYP2C19CNR2CNR1TSHR
SCHEMBL23251188 0.77 SLC6A2 (0.44) CYP2C19CNR2CNR1NPSR1
SCHEMBL14308415 0.75 CYP2C19 (0.46) CYP2C19NR1H2NR1H3CNR2CNR1

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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