SCHEMBL6914971

SCHEMBL6914971

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.44
MAOA P21397 7/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
F2 P00734 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6919450 1.00 MAOB (0.44) MAOBMAOAGPBAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL6920555 0.99 MAOB (0.43) MAOBMAOAGPBAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL6919805 0.99 MAOB (0.43) MAOBMAOAGPBAR1KMT2AMEN1
SCHEMBL6920324 0.85 TSHR (0.40) GPBAR1F2
SCHEMBL6918685 0.84 MAOA (0.44) MAOBMAOAGPBAR1F2
SCHEMBL6921239 0.82 F2 (0.38) GPBAR1KMT2AMEN1F2L3MBTL1
SCHEMBL6078064 0.82 F2 (0.47) GPBAR1F2
SCHEMBL6917424 0.82 GPBAR1 (0.38) GPBAR1KMT2AMEN1F2L3MBTL1
SCHEMBL6919684 0.82 F2 (0.42) GPBAR1KMT2AMEN1F2L3MBTL1
SCHEMBL6921204 0.81 F2 (0.40) GPBAR1KMT2AMEN1F2L3MBTL1

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