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Sugi Predict / Compounds / SCHEMBL15089176

SCHEMBL15089176

SCHEMBL15089176

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2cccc(-c3ccc5c(c3)c3ccccc3n5-c3cccnc3)c2)N(c2cccc(-c3ccc5c(c3)c3ccccc3n5-c3cccnc3)c2)c2cccc3c(-c5ccccn5)ccc-4c23)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.35
▸ CYP1A2 P05177 3/20 0.33
▸ METAP2 P50579 3/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ HRH1 P35367 1/20 0.30
▸ HTR6 P50406 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
SCHEMBL15089175 0.93 HTR1A (0.34) GRM5HTR1AHTR7DHFRMAPK14
SCHEMBL15089066 0.92 GRM5 (0.35) GRM5CYP1A2METAP2CYP2A6HTR1A
SCHEMBL15089163 0.91 CYP1A2 (0.33) GRM5CYP1A2METAP2CYP2A6HTR1A
SCHEMBL15089200 0.91 GRM5 (0.36) GRM5HTR1AHTR7DHFRMAPK14
SCHEMBL15089177 0.91 MAPK14 (0.35) HTR1AHTR7MAPK14
SCHEMBL15089254 0.90 GRM5 (0.35) GRM5CYP1A2METAP2CYP2A6HTR1A
SCHEMBL15088850 0.88 CYP1A2 (0.36) CYP1A2METAP2MAPK14
SCHEMBL15089219 0.86 MAPK14 (0.36) HTR1AHTR7MAPK14
SCHEMBL15089196 0.85 MAPK14 (0.34) GRM5HTR1AHTR7DHFRMAPK14
SCHEMBL15088930 0.85 GRM5 (0.33) GRM5HTR1AHTR7MAPK14

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed