SCHEMBL6991929

SCHEMBL6991929

COc1cc(CN2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccncc4)CC3)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.56
HRH1 P35367 8/20 0.54
KCNH2 Q12809 4/20 0.54
EED O75530 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
HRH4 Q9H3N8 2/20 0.54
MEN1 O00255 1/20 0.54
MLNR O43193 1/20 0.54
CACNA1F O60840 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
EGFR P00533 1/20 0.54
HLA-A P04439 1/20 0.54
ERBB2 P04626 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CHRM2 P08172 1/20 0.54

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
SCHEMBL6993607 0.97 SSTR5 (0.59) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL7000820 0.96 SSTR5 (0.55) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6995573 0.96 SSTR5 (0.58) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6998673 0.95 SSTR5 (0.48) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6999497 0.94 KCNH2 (0.53) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6999350 0.94 KCNH2 (0.62) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6995902 0.94 SSTR5 (0.56) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6999441 0.93 SSTR5 (0.53) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL7001556 0.93 SSTR5 (0.58) SSTR5HRH1KCNH2EEDLMNA
SCHEMBL6995837 0.92 KCNH2 (0.56) SSTR5HRH1KCNH2EEDLMNA

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