SCHEMBL1903932

SCHEMBL1903932

Nc1ncc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCN2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.41
▸ GID4 Q8IVV7 1/20 0.40
▸ HTR2C P28335 6/20 0.38
▸ SLC8A1 P32418 1/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ CTSC P53634 4/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ MC1R Q01726 1/20 0.36

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
SCHEMBL1431919 0.86 MASP2 (0.45) MMEGID4HTR2CHTR2BHTR2A
SCHEMBL1432761 0.84 MASP2 (0.44) MMEGID4HTR2CHTR2BHTR2A
SCHEMBL1905042 0.83 MEN1 (0.39) —
SCHEMBL1902249 0.83 MEN1 (0.39) —
SCHEMBL1904624 0.83 MEN1 (0.39) —
SCHEMBL1902540 0.82 MEN1 (0.38) HDAC1MC4RMC3R
SCHEMBL1907208 0.82 MEN1 (0.38) HDAC1MC4RMC3R
SCHEMBL1905007 0.81 MEN1 (0.40) —
SCHEMBL1905882 0.81 MEN1 (0.38) —
SCHEMBL1905746 0.81 MEN1 (0.40) —

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-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed
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