SCHEMBL13624814

SCHEMBL13624814

COC(=O)[C@@H]1C(CCC=O)CCN1[C@@H](C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35
CHRM4 P08173 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL10126869 1.00 RAB9A (0.36) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL12018913 1.00 RAB9A (0.36) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL12018912 0.90 OPRD1 (0.37) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL10126868 0.90 OPRD1 (0.37) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL947664 0.84 KDM4E (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL980703 0.84 HTR1A (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL980704 0.84 HTR1A (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL1950445 0.83 MEN1 (0.40) HSD17B10MEN1ALDH1A1KMT2ACHRM4
SCHEMBL10126865 0.81 MEN1 (0.40) MEN1KMT2ACHRM4
SCHEMBL1357343 0.80 ALDH1A1 (0.43) RAB9ACYP3A4CYP1A2TSHRMEN1

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
WO-2009140447-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2009-11-19 WO disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed