SCHEMBL8427079

SCHEMBL8427079

COc1cc(C(=O)OCc2ccccc2)ccc1Cc1c[nH]c2ccc(C(=O)N(C)CCCC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CDK4 P11802 8/20 0.40
CCND1 P24385 8/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
IDO1 P14902 1/20 0.37
CDK2 P24941 1/20 0.37
TACR1 P25103 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL8427437 0.88 GPR84 (0.42) GPR84ROCK2ROCK1CDK4CCND1
SCHEMBL8425280 0.83 GPR84 (0.56) GPR84CYSLTR2CYSLTR1RXFP1IDO1
SCHEMBL8530246 0.83 GPR84 (0.65) GPR84CYSLTR2CYSLTR1RXFP1IDO1
SCHEMBL8427078 0.78 GPR84 (0.46) GPR84CYSLTR2CYSLTR1
SCHEMBL8422984 0.78 HTR7 (0.42) GPR84CDK4CCND1CDK2
SCHEMBL8528458 0.72 GPR84 (0.73) GPR84CYSLTR2CYSLTR1IDO1CPT1A
SCHEMBL8427130 0.70 GPR84 (0.67) GPR84CYSLTR2CYSLTR1IDO1CDK2
SCHEMBL8425282 0.70 GPR84 (0.58) GPR84CYSLTR2CYSLTR1RXFP1IDO1
SCHEMBL29251314 0.68 GPR84 (0.78) GPR84RXFP1CDK2TDP1
SCHEMBL10765512 0.68 GPR84 (0.55) GPR84CYSLTR2CYSLTR1IDO1CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863873-B1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER (US) 1999-11-10 EP disclosed
US-5965745-A ASTHMA; ANTIARTHRITIC,-SHOCK AGENTS; BRONCHITIS; RESPIRATORY SYSTEM DISEASES, E.G. CHRONIC OBSTRUCTIVE AIRWAYS DISEASES; PSORIASIS; ALLERGIC RHINITIS; ATOPIC DERMATITIS PFIZER INC (US) 1999-10-12 US disclosed
EP-0863873-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997013751-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1997-04-17 WO disclosed