SCHEMBL17082008

SCHEMBL17082008

CCCOC(=O)Nc1ccc(N2CCC[C@@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 5/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE7A Q13946 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP3 P42574 2/20 0.34

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
SCHEMBL4570164 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082116 0.94 ALDH1A1 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL4570159 0.94 ALDH1A1 (0.39) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL4570215 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082193 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL4570133 0.91 SMN1; SMN2 (0.42) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL17082120 0.91 SMN1; SMN2 (0.42) SMN1; SMN2HPGDTP53NPC1RAB9A
SCHEMBL4570162 0.90 PDE7A (0.38) SMN1; SMN2HPGDTP53MAPTALDH1A1
SCHEMBL17082096 0.90 PDE7A (0.38) SMN1; SMN2HPGDTP53MAPTALDH1A1
SCHEMBL17082078 0.90 HPGD (0.41) SMN1; SMN2HPGDTP53NPC1RAB9A

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-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed