SCHEMBL6998723

SCHEMBL6998723

O=C1N(Cc2ccccc2)CCC1(CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(CO)o2)CC1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.48
KCNH2 Q12809 13/20 0.45
NR4A2 P43354 1/20 0.45
HRH1 P35367 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
MEN1 O00255 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
EED O75530 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
HLA-A P04439 1/20 0.42
ERBB2 P04626 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL6993525 0.91 SSTR5 (0.48) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL7001139 0.91 HRH1 (0.46) SSTR5KCNH2HRH1HRH4MEN1
SCHEMBL6990365 0.88 SSTR5 (0.49) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6996230 0.87 KCNH2 (0.47) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6998023 0.87 SSTR5 (0.54) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6993717 0.87 SSTR5 (0.49) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6997226 0.86 HRH1 (0.51) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6989448 0.86 SSTR5 (0.67) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6990283 0.85 SSTR5 (0.51) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL6998181 0.85 SSTR5 (0.52) SSTR5KCNH2NR4A2HRH1HRH4

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 2 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