SCHEMBL8951122

SCHEMBL8951122

CCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(N)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK2 P24941 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL8951152 0.92 GPR84 (0.41) GPR84HTR7HTR6NPC1HPGD
SCHEMBL8951184 0.89 GPR84 (0.41) GPR84HTR7HTR6NPC1HPGD
SCHEMBL8951277 0.89 GPR84 (0.41) GPR84HTR7HTR6NPC1HPGD
SCHEMBL8951462 0.88 GPR84 (0.39) GPR84HTR7HTR6NPC1HPGD
SCHEMBL8951168 0.88 GPR84 (0.39) GPR84HTR7HTR6NPC1HPGD
SCHEMBL8951194 0.88 GPR84 (0.39) GPR84NPC1HPGDCYP2C19TRPV1
SCHEMBL8951154 0.87 HSD17B2 (0.38) GPR84HTR7HTR6NPC1HPGD
SCHEMBL3671157 0.86 GPR84 (0.42) GPR84HTR7HTR6NPC1TRPV1
SCHEMBL8951301 0.86 GPR84 (0.38) GPR84HTR7HTR6NPC1HPGD
SCHEMBL10562875 0.84 HDAC3 (0.49) MEN1KMT2ATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583152-A Use of N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl)-3 -methoxybenzoyl)-2-methyl-benzenesulphonamide, zafirlukast; allergic asthma, inflammatory diseases, endotoxic conditions or traumatic shock ZENECA INC. (US) 1996-12-10 US disclosed
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP disclosed
US-5440035-A Leukotriene antagonists; antiallergens, antiinflammatory agents ZENECA INC. (GB) 1995-08-08 US disclosed
US-5391758-A Leukotriene antagonists ZENECA, INC. (US) 1995-02-21 US disclosed
US-5338734-A Leukotriene antagonist properties; antiinflammatory agents ZENECA INC. (US) 1994-08-16 US disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP disclosed