SCHEMBL8422984

SCHEMBL8422984

CN(CCCC(F)(F)F)C(=O)c1ccc2[nH]cc(Cc3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
CDK4 P11802 15/20 0.42
CCND1 P24385 15/20 0.42
CDK2 P24941 2/20 0.41
GPR84 Q9NQS5 1/20 0.39
SNCA P37840 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8427437 0.85 GPR84 (0.42) HTR7CDK4CCND1CDK2GPR84
SCHEMBL8427079 0.78 GPR84 (0.44) CDK4CCND1CDK2GPR84
SCHEMBL5431339 0.75 HTR7 (0.60) HTR7GPR84SNCACYP1A2CYP2D6
SCHEMBL18767368 0.72 KMT2A (0.49) CDK4CCND1
SCHEMBL8422975 0.72 SNCA (0.46) HTR7SNCA
SCHEMBL15143741 0.70 CDK4 (0.44) CDK4CCND1CDK2CYP1A2CYP2D6
SCHEMBL5424833 0.70 HTR7 (0.72) HTR7GPR84CYP1A2CYP2C9HSD17B10
SCHEMBL2879193 0.68 MEN1 (0.71) CDK4CCND1GPR84
SCHEMBL8425209 0.68 NQO2 (0.55) HTR7CDK2
SCHEMBL8785730 0.68 HTR7 (0.68) HTR7CYP1A2CYP2D6CYP2C9HSD17B10

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