SCHEMBL2222573

SCHEMBL2222573

Cc1cccc(NC(=O)C23CC4CC(CC(N)(C4)C2)C3)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
GRM5 P41594 5/20 0.45
FPR2 P25090 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
GBA1 P04062 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2276927 0.88 SMN1; SMN2 (0.51) RAB9AGRM5FPR2LMNAALDH1A1
SCHEMBL3324587 0.87 LMNA (0.58) RAB9AGRM5LMNAALDH1A1CNR2
SCHEMBL2279802 0.81 P2RX7 (0.56) RAB9ALMNAALDH1A1CNR2SMN1; SMN2
SCHEMBL10152384 0.79 GRM5 (0.59) RAB9AGRM5FPR2LMNAALDH1A1
SCHEMBL12516066 0.78 LMNA (0.46) RAB9AGRM5FPR2LMNAALDH1A1
SCHEMBL30794648 0.77 GRM5 (0.73) GRM5FPR2CNR2MEN1KMT2A
SCHEMBL2221951 0.77 GRM5 (0.73) GRM5FPR2CNR2MEN1KMT2A
SCHEMBL9960850 0.76 GRM5 (0.50) RAB9AGRM5FPR2LMNAALDH1A1
SCHEMBL2269402 0.73 SMN1; SMN2 (0.50) RAB9ALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL1578461 0.72 GRM5 (0.50) GRM5FPR2CNR2NPC1GBA1

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-2011087758-A1 ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 WO disclosed