SCHEMBL9527712

SCHEMBL9527712

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM2B Q8NHM5 2/20 0.35
ROCK2 O75116 1/20 0.33
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL9526771 0.95 NPC1 (0.34) NPC1RAB9AKDM2BROCK2FFAR1
SCHEMBL9527280 0.94 B3GAT3 (0.34) RAB9AKDM2B
SCHEMBL9528145 0.93 KDM2B (0.35) NPC1RAB9AKDM2BFFAR1GPR84
SCHEMBL9526686 0.92 NPC1 (0.36) NPC1RAB9AROCK2FFAR1GPR84
SCHEMBL9526830 0.92 NPC1 (0.35) NPC1RAB9AKDM2BROCK2TSHR
SCHEMBL9527469 0.89 NPC1 (0.35) NPC1RAB9AKDM2BROCK2TSHR
SCHEMBL9527214 0.89 HTR7 (0.34) RAB9AROCK2GPR84
SCHEMBL9528111 0.87 KDM2B (0.34) KDM2BGPR84HTR1A
SCHEMBL9527468 0.86 B3GAT3 (0.35) RAB9AHTR1A
SCHEMBL9526803 0.86 MEN1 (0.39)

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