SCHEMBL4450883

SCHEMBL4450883

CC(=O)N1CCC(COc2cccc3cnccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 3/20 0.47
RAB9A P51151 3/20 0.47
GALR3 O60755 2/20 0.47
NPC1 O15118 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
IKBKB O14920 3/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CHUK O15111 2/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
KMT2A Q03164 1/20 0.45
METAP2 P50579 1/20 0.44
KCNA3 P22001 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL4450878 0.81 RAB9A (0.46) NR2F2RAB9AGALR3NPC1IKBKB
SCHEMBL5210714 0.75 ALDH1A1 (0.51) RAB9ANPC1KMT2A
SCHEMBL791389 0.74 CYP2C9 (0.53) CYP4F2CYP4A11KMT2A
SCHEMBL23951682 0.73 IKBKB (0.52) IKBKBIRAK4CHUKMETAP2KCNA3
SCHEMBL2459419 0.72 KDM4E (0.52)
SCHEMBL28128346 0.72 P2RX7 (0.56)
SCHEMBL18404066 0.72 RBP4 (0.68) KMT2A
SCHEMBL17737440 0.71 P2RX7 (0.56) KMT2ATRPV1
SCHEMBL14193918 0.71 MEN1 (0.52) KMT2A
SCHEMBL5207932 0.71 RBP4 (0.52) RAB9ANPC1KMT2A

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