SCHEMBL6998023

SCHEMBL6998023

O=C1N(Cc2ccccc2)CCC1(CCN1CCC(Nc2nc3ccccc3n2Cc2ccncc2)CC1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.54
KCNH2 Q12809 11/20 0.49
NR4A2 P43354 2/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH1 P35367 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
EED O75530 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL6998181 0.93 SSTR5 (0.52) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL6989448 0.92 SSTR5 (0.67) SSTR5KCNH2NR4A2MAPTALDH1A1
SCHEMBL6998673 0.91 SSTR5 (0.48) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL6999999 0.90 SSTR5 (0.50) SSTR5KCNH2NR4A2MAPTALDH1A1
SCHEMBL6990283 0.89 SSTR5 (0.51) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL6990365 0.88 SSTR5 (0.49) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL7971572 0.88 SSTR5 (0.61) SSTR5KCNH2NR4A2MAPTALDH1A1
SCHEMBL6993525 0.87 SSTR5 (0.48) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL6998723 0.87 SSTR5 (0.48) SSTR5KCNH2NR4A2MAPTHRH1
SCHEMBL6999497 0.87 KCNH2 (0.53) SSTR5KCNH2NR4A2MAPTALDH1A1

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