SCHEMBL1432231

SCHEMBL1432231

Nc1ccc(CNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 4/20 0.47
▸ CTSC P53634 3/20 0.43
▸ GHSR Q92847 1/20 0.42
▸ F2 P00734 4/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ CTSK P43235 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL1432632 0.89 MASP2 (0.47) MASP2CTSCGHSRF2HTR2C
SCHEMBL1432216 0.87 MASP2 (0.44) MASP2CTSCGHSRF2HTR2C
SCHEMBL1432411 0.86 MASP2 (0.46) MASP2CTSCGHSRF2HTR2C
SCHEMBL1432888 0.86 CTSL (0.49) MASP2CTSCF2HTR2CHTR2B
SCHEMBL1431930 0.85 MASP2 (0.45) MASP2CTSCF2HTR2CHTR2B
SCHEMBL1432735 0.84 MASP2 (0.46) MASP2CTSCF2HTR2CHTR2B
Hydrochloric Acid SCHEMBL1432057 0.84 MASP2 (0.44) MASP2CTSCF2HTR2CHTR2B
SCHEMBL1432761 0.82 MASP2 (0.44) MASP2CTSCHTR2CHTR2BCTSK
SCHEMBL1431988 0.81 TACR1 (0.44) MASP2
SCHEMBL1432138 0.80 TACR1 (0.45) MASP2

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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