SCHEMBL6919199

SCHEMBL6919199

CC1(C[C@@H](N)C(=O)NC(=O)C2C[C@H](F)CN2Cc2cc(Cl)ccc2-n2cncn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
GPBAR1 Q8TDU6 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
F10 P00742 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6919210 1.00 F2 (0.39) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6919761 0.92 F2 (0.40) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6921204 0.88 F2 (0.40) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6919684 0.87 F2 (0.42) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6918798 0.87 F2 (0.39) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6921239 0.86 F2 (0.38) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6915112 0.86 AAK1 (0.33) AAK1
SCHEMBL6919923 0.86 F2 (0.39) F2GPBAR1KMT2AMEN1AAK1
SCHEMBL6922164 0.86 F2 (0.43) F2GPBAR1KMT2AMEN1AAK1
Hydrochloric Acid SCHEMBL6922395 0.85 AAK1 (0.32) AAK1

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