SCHEMBL24022028

SCHEMBL24022028

CCc1cc(F)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ SCN9A Q15858 1/20 0.36
▸ TSHR P16473 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ BRD9 Q9H8M2 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ P2RX7 Q99572 3/20 0.30
▸ RAPGEF4 Q8WZA2 2/20 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
SCHEMBL9886100 0.91 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11936747 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5023529 0.82 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14191477 0.81 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15894534 0.81 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25584446 0.81 SHBG (0.34) SCN9A
SCHEMBL13778905 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15250021 0.79 NOS3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12114211 0.79 NOS3 (0.34) TSHRNPSR1HTR2ANOS3NOS1
SCHEMBL22964357 0.77 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3524600-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS SANOFI SA (FR) 2021-11-17 — — EP disclosed
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