SCHEMBL26498985

SCHEMBL26498985

Brc1cccc(-c2cccc(-c3cccc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.60
DCTPP1 Q9H773 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
BIRC5 O15392 1/20 0.47
CYP2A6 P11509 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46

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
SCHEMBL14595514 1.00 GRM5 (0.60) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL29412559 1.00 GRM5 (0.60) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL26499264 0.96 GRM5 (0.57) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL26499338 0.96 GRM5 (0.57) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL647518 0.96 GRM5 (0.64) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL24941515 0.95 GRM5 (0.59) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL752286 0.94 GRM5 (0.62) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL28007675 0.94 GRM5 (0.62) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL751847 0.94 GRM5 (0.62) GRM5DCTPP1GABRA1GABRG2GABRB3
SCHEMBL19500912 0.93 GRM5 (0.55) GRM5DCTPP1GABRA1GABRG2GABRB3

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-2023182184-A1 LIGHT-EMITTING LAYER COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND PRODUCTION METHOD THEREFOR 三菱ケミカル株式会社 2023-09-28 WO disclosed