SCHEMBL9527468

SCHEMBL9527468

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.35
RAB9A P51151 1/20 0.34
ADRA1B P35368 1/20 0.34
CCR2 P41597 1/20 0.34
HTR1A P08908 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL9527749 0.95 HTR1D (0.35) B3GAT3RAB9A
SCHEMBL9526686 0.94 NPC1 (0.36) RAB9A
SCHEMBL9527280 0.93 B3GAT3 (0.34) B3GAT3RAB9AADRA1B
SCHEMBL9527214 0.92 HTR7 (0.34) B3GAT3RAB9A
SCHEMBL9527469 0.89 NPC1 (0.35) RAB9AHTR1A
SCHEMBL9526859 0.89 B3GAT3 (0.36) B3GAT3RAB9A
SCHEMBL9528111 0.89 KDM2B (0.34) ADRA1BCCR2HTR1A
SCHEMBL9527712 0.86 NPC1 (0.35) RAB9AHTR1A
SCHEMBL9526771 0.85 NPC1 (0.34) RAB9A
SCHEMBL9527270 0.85 MEN1 (0.40)

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