SCHEMBL21621113

SCHEMBL21621113

O=C(COc1ccc(Cl)cc1)NC1(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.49
▸ GRIN1 Q05586 3/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ HTT P42858 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 2/20 0.44

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
SCHEMBL21621079 0.80 ATF4 (0.51) ATF4GRIN1GRIN2BKMT2AMEN1
SCHEMBL21618334 0.80 ATF4 (0.60) ATF4KMT2AMEN1HTTNPC1
SCHEMBL12335085 0.79 NPC1 (0.56) GRIN1GRIN2BKMT2AMEN1HTT
SCHEMBL31233718 0.71 MEN1 (0.71) KMT2AMEN1HTTLMNAHPGD
SCHEMBL21621112 0.70 MEN1 (0.45) ATF4GRIN1GRIN2BKMT2AMEN1
SCHEMBL21618336 0.70 ATF4 (0.68) ATF4KMT2AMEN1HTTNPC1
SCHEMBL19569429 0.70 ATF4 (0.82) ATF4
SCHEMBL21618328 0.70 ATF4 (0.57) ATF4KMT2AMEN1NPC1RAB9A
SCHEMBL23773091 0.69 LMNA (0.45) ATF4GRIN1GRIN2BKMT2AMEN1
SCHEMBL12334454 0.69 EPHX2 (0.59) KMT2ANPC1EPHX2RAB9A

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-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — WO disclosed
Send feedback