SCHEMBL6628064

SCHEMBL6628064

COc1cc2c(cc1F)c1c(n2C[C@@H](C)NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.36
AAK1 Q2M2I8 4/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 4/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLA2G7 Q13093 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL6628067 1.00 HSD17B10 (0.36) HSD17B10AAK1TRPA1KDM4EGLA
SCHEMBL6627517 0.80 TRPA1 (0.36) HSD17B10AAK1TRPA1KDM4EGLA
SCHEMBL6627511 0.80 TRPA1 (0.36) HSD17B10AAK1TRPA1KDM4EGLA
SCHEMBL5025143 0.79 ALDH1A1 (0.51) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL6627340 0.79 ALDH1A1 (0.51) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL5025145 0.79 ALDH1A1 (0.51) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL7529719 0.78 HTR6 (0.38) HSD17B10KDM4EGAAALDH1A1LMNA
SCHEMBL905786 0.78 HTR6 (0.38) HSD17B10KDM4EGAAALDH1A1LMNA
SCHEMBL6628060 0.78 HTR6 (0.38) HSD17B10KDM4EGAAALDH1A1LMNA
SCHEMBL10199815 0.72 HTR6 (0.40) HSD17B10PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed