SCHEMBL551743

SCHEMBL551743

Cc1cc(NC(=O)C2CCCC2)ccc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 1/20 0.39
EPHX2 P34913 1/20 0.38
CASP3 P42574 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GBA1 P04062 1/20 0.38
GLA P06280 1/20 0.38
NPY2R P49146 1/20 0.37

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
SCHEMBL549274 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2701931 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL551742 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2701928 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL549275 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2701334 0.99 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL549962 0.99 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL549961 0.99 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL549565 0.99 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL549566 0.99 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR

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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed