SCHEMBL9528145

SCHEMBL9528145

CCCC(c1ccc(C(=O)O)cc1OC)c1c[nH]c2ccc(CC3CCN(CCC)C3=S)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.35
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL9528111 0.94 KDM2B (0.34) KDM2BGPR84KMT2A
SCHEMBL9527712 0.93 NPC1 (0.35) KDM2BFFAR1GPR84TSHRNPC1
SCHEMBL9526771 0.89 NPC1 (0.34) KDM2BFFAR1GPR84TSHRNPC1
SCHEMBL9526686 0.88 NPC1 (0.36) FFAR1GPR84TSHRNPC1RAB9A
SCHEMBL9527280 0.87 B3GAT3 (0.34) KDM2BRAB9A
SCHEMBL9527469 0.85 NPC1 (0.35) KDM2BTSHRNPC1RAB9ASLC6A4
SCHEMBL9528072 0.85 MEN1 (0.39) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL9526830 0.85 NPC1 (0.35) KDM2BTSHRNPC1RAB9A
SCHEMBL9527214 0.83 HTR7 (0.34) GPR84RAB9A
SCHEMBL9527468 0.82 B3GAT3 (0.35) RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed