SCHEMBL4450878

SCHEMBL4450878

CC(=O)N1CC[C](COc2cccc3cnccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NR2F2 P24468 3/20 0.46
GALR3 O60755 2/20 0.46
NPC1 O15118 2/20 0.45
KCNA3 P22001 1/20 0.44
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
IKBKB O14920 2/20 0.40
NR3C1 P04150 2/20 0.40
PDGFRB P09619 1/20 0.40
CHUK O15111 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4450883 0.81 NR2F2 (0.47) RAB9ANR2F2GALR3NPC1KCNA3
SCHEMBL17737440 0.72 P2RX7 (0.56) KMT2ACASP1CASP7KDM4ELMNA
SCHEMBL14193918 0.71 MEN1 (0.52) KMT2AKDM4EMAPT
SCHEMBL7344375 0.71 KDM4E (0.67) RAB9ANR2F2KCNA3NR3C1CASP1
SCHEMBL5998660 0.70 KDM4E (0.50) RAB9ANR2F2KCNA3KMT2AGRIN1
SCHEMBL7870247 0.70 KCNA3 (0.52) RAB9ANR2F2GALR3KCNA3NR3C1
SCHEMBL367358 0.70 MRGPRX4 (0.54) RAB9ANR2F2KCNA3KMT2AKDM4E
SCHEMBL11144866 0.70 KCNA3 (0.61) RAB9ANR2F2KCNA3NR3C1KDM4E
SCHEMBL13788236 0.70 KCNA3 (0.55) RAB9ANR2F2KCNA3KMT2ANR3C1
SCHEMBL5445170 0.69 KCNA3 (0.65) RAB9ANR2F2KCNA3IKBKBLMNA

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-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed