SCHEMBL7000286

SCHEMBL7000286

COc1ccc(CC2(CCN3CCC(Nc4nc5ccccc5n4Cc4ccco4)CC3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
HRH1 P35367 4/20 0.48
SSTR5 P35346 4/20 0.48
LMNA P02545 3/20 0.48
EED O75530 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
HLA-A P04439 1/20 0.48
ERBB2 P04626 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL6993929 0.96 HRH1 (0.48) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6997476 0.95 SSTR5 (0.51) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6997362 0.91 SSTR5 (0.50) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6999718 0.91 KCNH2 (0.47) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6996230 0.91 KCNH2 (0.47) KCNH2HRH1SSTR5LMNAEED
SCHEMBL7000737 0.90 KCNH2 (0.49) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6999497 0.90 KCNH2 (0.53) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6999350 0.90 KCNH2 (0.62) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6997584 0.89 HRH1 (0.49) KCNH2HRH1SSTR5LMNAEED
SCHEMBL6996345 0.88 KCNH2 (0.49) KCNH2HRH1SSTR5LMNAEED

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-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-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
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