SCHEMBL9527665

SCHEMBL9527665

CCCN1CCC(Cc2ccc3[nH]cc(C(C)c4ccc(C(=O)OC)cc4OC)c3c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
RAB9A P51151 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HPGD P15428 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL9526830 0.93 NPC1 (0.35) TRPV1RAB9AMTNR1AMTNR1BROCK2
SCHEMBL9527280 0.91 B3GAT3 (0.34) B3GAT3RAB9AHCRTR1HCRTR2HTR7
SCHEMBL9526859 0.91 B3GAT3 (0.36) B3GAT3TRPV1RAB9AMTNR1AMTNR1B
SCHEMBL9527214 0.86 HTR7 (0.34) B3GAT3TRPV1RAB9AHCRTR1HCRTR2
SCHEMBL9528457 0.85 MEN1 (0.40)
SCHEMBL9527712 0.85 NPC1 (0.35) RAB9AGPR84ROCK2
SCHEMBL9527773 0.85 B3GAT3 (0.35) B3GAT3TRPV1HTR7HTR6HTR4
SCHEMBL9528111 0.84 KDM2B (0.34) HTR7HTR6HTR4GPR84HPGD
SCHEMBL9526764 0.83 NPC1 (0.37) TRPV1RAB9AMTNR1AMTNR1BROCK2
SCHEMBL9527468 0.83 B3GAT3 (0.35) B3GAT3RAB9A

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