SCHEMBL1432377

SCHEMBL1432377

CN1CCCC1C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ XIAP P98170 4/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ AADAT Q8N5Z0 1/20 0.40

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
SCHEMBL1433055 0.90 KMT2A (0.43) TACR1KMT2AXIAPAADAT
SCHEMBL1432319 0.90 KMT2A (0.43) TACR1KMT2AXIAPAADAT
SCHEMBL1432803 0.89 CTSB (0.41) KMT2ACTSL
SCHEMBL1432409 0.88 CTSL (0.48) F2CTSL
SCHEMBL1432148 0.88 KMT2A (0.43) KMT2ATSHR
SCHEMBL1432180 0.87 DPP4 (0.40) KMT2AXIAP
SCHEMBL1431638 0.87 DPP4 (0.40) KMT2AXIAP
Hydrochloric Acid SCHEMBL1432515 0.86 DPP4 (0.40) KMT2AXIAP
SCHEMBL1432452 0.86 TLR2 (0.42) TACR1KMT2AAADAT
SCHEMBL1432690 0.86 TLR2 (0.42) TACR1KMT2AAADAT

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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