SCHEMBL7554643

SCHEMBL7554643

Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)C[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
NR2F2 P24468 1/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PSMD14 O00487 1/20 0.43
USP2 O75604 1/20 0.43
MMP2 P08253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
NAMPT P43490 1/20 0.43
DDB1 Q16531 1/20 0.43

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
SCHEMBL7660361 0.79 EPHX2 (0.54) WNT3ASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL13460146 0.79 MAPT (0.54) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL24670765 0.79 KMT2A (0.60) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL29803595 0.79 MAPT (0.54) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL24670693 0.79 MAPT (0.54) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL24670882 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL24670794 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL29803695 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL29803554 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL25447362 0.75 MAPT (0.60) SMN1; SMN2MEN1KMT2ACYP2C19LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed