SCHEMBL6996780

SCHEMBL6996780

COc1cc(CN2CCC(CCCS(C)(=O)=O)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
KCNH2 Q12809 1/20 0.38
HRH1 P35367 1/20 0.37
PRMT5 O14744 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL7947370 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL6997482 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL7495346 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL6996096 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL6992507 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL7958360 0.85 MEN1 (0.40) ALDH1A1KDM4EHTTMAPTL3MBTL1
SCHEMBL7947626 0.85 KDM4E (0.39) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL7954527 0.84 KDM4E (0.41) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL7982215 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHTTKCNH2HRH1
SCHEMBL7956429 0.82 MEN1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed