SCHEMBL8515267

SCHEMBL8515267

CC(C)OC(=O)Cc1nc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ TSHR P16473 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC27A1 Q6PCB7 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ USP2 O75604 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
SCHEMBL8358090 0.84 MAPT (0.54) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL11261037 0.76 MAPT (0.64) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8352629 0.76 MAPT (0.59) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8350635 0.76 MAPT (0.58) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8358204 0.76 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8354375 0.75 SMN1; SMN2 (0.68) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8353724 0.74 ALDH1A1 (0.56) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8353854 0.74 ALDH1A1 (0.66) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8354500 0.74 MAPT (0.61) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8358040 0.74 ALDH1A1 (0.61) MAPTALDH1A1KDM4ELMNAPOLB

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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