SCHEMBL14308417

SCHEMBL14308417

CCN(CC)c1ccc(C(C)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)(c3ccc(N(CC)CC)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.49
▸ TSHR P16473 2/20 0.48
▸ NR1H2 P55055 3/20 0.45
▸ NR1H3 Q13133 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42

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
SCHEMBL10942182 0.92 CNR2 (0.52) CNR2TSHRNR1H2NR1H3MEN1
SCHEMBL14308415 0.90 CYP2C19 (0.46) CNR2TSHRNR1H2NR1H3MEN1
SCHEMBL5494992 0.88 ALDH1A1 (0.54) CNR2TSHRNR1H2NR1H3MEN1
SCHEMBL13993314 0.88 ESR1 (0.52) TSHRMEN1RAB9AKMT2AALDH1A1
SCHEMBL9718481 0.87 CNR2 (0.47) CNR2TSHRNR1H2NR1H3MEN1
SCHEMBL13594999 0.86 TSHR (0.61) CNR2TSHRMEN1RAB9AKMT2A
SCHEMBL13778806 0.81 CYP2C19 (0.61) CNR2TSHRNR1H2NR1H3KMT2A
SCHEMBL11107077 0.81 TSHR (0.47) CNR2TSHRMEN1KMT2AALDH1A1
SCHEMBL25754057 0.81 ESR1 (0.50) MEN1KMT2AALDH1A1TDP1CYP3A4
SCHEMBL13778796 0.81 CNR2 (0.40) CNR2TSHRMEN1KMT2AALDH1A1

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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