SCHEMBL6993929

SCHEMBL6993929

COc1cc(CN2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccco4)CC3)(Cc3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.48
SSTR5 P35346 5/20 0.44
KCNH2 Q12809 7/20 0.42
EED O75530 2/20 0.42
MEN1 O00255 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 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
CHRM4 P08173 1/20 0.42
ABCB1 P08183 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
SCHEMBL7000286 0.96 KCNH2 (0.48) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6997476 0.95 SSTR5 (0.51) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6997362 0.92 SSTR5 (0.50) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6990365 0.91 SSTR5 (0.49) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6999210 0.91 HRH1 (0.45) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL7001139 0.90 HRH1 (0.46) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL7001725 0.90 SSTR5 (0.45) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6998666 0.89 HRH1 (0.55) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6998673 0.89 SSTR5 (0.48) HRH1SSTR5KCNH2EEDMEN1
SCHEMBL6995573 0.89 SSTR5 (0.58) HRH1SSTR5KCNH2EEDMEN1

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