SCHEMBL23299783

SCHEMBL23299783

N#Cc1cc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c(-c2cc(F)cc(F)c2)cc1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SSTR2 P30874 2/20 0.34
SCN9A Q15858 1/20 0.34
CYP11B2 P19099 2/20 0.34
METAP2 P50579 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP2C9 P11712 1/20 0.33
SSTR4 P31391 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL22158277 0.97 SSTR2 (0.35) GRM5CLK4SSTR2SCN9ACYP11B2
SCHEMBL22158502 0.92 SCN9A (0.38) GRM5CLK4SSTR2SCN9ACYP11B2
SCHEMBL22156418 0.91 SSTR2 (0.36) GRM5CLK4SSTR2SCN9ACYP11B2
SCHEMBL22157065 0.90 SCN9A (0.36) GRM5CLK4SSTR2SCN9ACYP11B2
SCHEMBL22158278 0.90 SSTR2 (0.36) GRM5CLK4SSTR2CYP11B2CYP11B1
SCHEMBL22158275 0.88 SSTR2 (0.36) CLK4SSTR2CYP11B2CYP11B1CYP2C9
SCHEMBL22156391 0.87 CLK4 (0.35) CLK4CYP11B2METAP2CYP11B1SQOR
SCHEMBL22158273 0.86 SSTR2 (0.35) CLK4SSTR2CYP11B2CYP11B1CYP2C9
SCHEMBL22158211 0.86 CLK4 (0.36) CLK4CYP11B2METAP2CYP11B1GABRA1
SCHEMBL22156563 0.85 CYP11B1 (0.37) SSTR2CYP11B2CYP11B1CYP2C9CYP2C19

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-3635070-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-04-28 EP disclosed