SCHEMBL6922995

SCHEMBL6922995

CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
F2 P00734 5/20 0.34
F10 P00742 2/20 0.34
PLAT P00750 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
CTSS P25774 3/20 0.33
CTSL P07711 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 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
SCHEMBL6919834 0.88 ALDH1A1 (0.49) ALDH1A1GPBAR1F2F10PLAT
SCHEMBL6922998 0.84 ALDH1A1 (0.43) ALDH1A1F2CTSSCTSL
SCHEMBL6919769 0.81 GPBAR1 (0.36) GPBAR1F2F10PLATPRSS1
SCHEMBL6921239 0.79 F2 (0.38) ALDH1A1GPBAR1F2F10PLAT
SCHEMBL6078342 0.79 F2 (0.43) ALDH1A1F2KMT2AMEN1
SCHEMBL6919210 0.78 F2 (0.39) GPBAR1F2F10PLATPRSS1
SCHEMBL6919199 0.78 F2 (0.39) GPBAR1F2F10PLATPRSS1
SCHEMBL6921204 0.78 F2 (0.40) ALDH1A1GPBAR1F2F10PLAT
SCHEMBL6917424 0.77 GPBAR1 (0.38) ALDH1A1GPBAR1F2L3MBTL1KMT2A
SCHEMBL6919762 0.77 F2 (0.38) ALDH1A1GPBAR1F2F10PLAT

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-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed