SCHEMBL6919762

SCHEMBL6919762

CC(C)(C1CC1)[C@@H](N)C(=O)NC(=O)C1C[C@@H](F)CN1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
F10 P00742 2/20 0.35
PLAT P00750 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6921239 0.93 F2 (0.38) F2GPBAR1F10PLATPRSS1
SCHEMBL6921204 0.89 F2 (0.40) F2GPBAR1F10PLATPRSS1
SCHEMBL6919684 0.86 F2 (0.42) F2GPBAR1F10PLATPRSS1
SCHEMBL6922164 0.85 F2 (0.43) F2GPBAR1F10PLATPRSS1
SCHEMBL6919199 0.84 F2 (0.39) F2GPBAR1F10PLATPRSS1
SCHEMBL6917192 0.84 F2 (0.42) F2GPBAR1F10PLATPRSS1
SCHEMBL6919210 0.84 F2 (0.39) F2GPBAR1F10PLATPRSS1
SCHEMBL6919761 0.84 F2 (0.40) F2GPBAR1F10PLATPRSS1
SCHEMBL6919923 0.82 F2 (0.39) F2GPBAR1F10PLATPRSS1
SCHEMBL6920452 0.81 SCN9A (0.36) F2GPBAR1F10PLATPRSS1

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