SCHEMBL8911110

SCHEMBL8911110

CCCCC(=O)N(Cc1ccc2sc(-c3ccccc3C#N)cc2c1)CC(CC)(CC)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.34
AGTR1 P30556 1/20 0.33
PKM P14618 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
TSHR P16473 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL8482148 0.83 LTB4R2 (0.36) LTB4R2AGTR1PKMTSHR
SCHEMBL8910135 0.80 PTPN1 (0.32) PTPN1
SCHEMBL8910129 0.79 S1PR1 (0.38) CTSBCTSSPTPN1
SCHEMBL8911282 0.77 LTB4R2 (0.34) LTB4R2AGTR1PKMTSHR
SCHEMBL8806815 0.76 ACHE (0.34) LTB4R2AGTR1PKM
SCHEMBL8486942 0.75 LTB4R2 (0.35) LTB4R2AGTR1PKMTSHR
SCHEMBL2515 0.75 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL8807370 0.73 AGTR1 (0.41) LTB4R2AGTR1CTSLCTSBCTSS
SCHEMBL8809681 0.73 AGTR1 (0.41) LTB4R2AGTR1PKM
SCHEMBL8485848 0.72 LTB4R2 (0.41) LTB4R2AGTR1

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
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed