SCHEMBL7981024

SCHEMBL7981024

COc1cc(CN2CCC(CCCN3CCC(Nc4nc5ccccc5n4CCCC(=O)O)CC3)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.52
SSTR5 P35346 5/20 0.49
KCNH2 Q12809 9/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
EED O75530 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL7984750 0.99 HRH1 (0.52) HRH1SSTR5KCNH2LMNAGAA
Hydrochloric Acid SCHEMBL7971593 0.99 HRH1 (0.52) HRH1SSTR5KCNH2LMNAGAA
Lithium Ion SCHEMBL7984760 0.94 HRH1 (0.51) HRH1SSTR5KCNH2LMNAGAA
SCHEMBL7985525 0.94 HRH1 (0.53) HRH1SSTR5KCNH2LMNAGAA
Hydrochloric Acid SCHEMBL7971877 0.94 HRH1 (0.53) HRH1SSTR5KCNH2LMNAGAA
SCHEMBL7985864 0.94 HRH1 (0.53) HRH1SSTR5KCNH2LMNAGAA
SCHEMBL7970924 0.93 HRH1 (0.53) HRH1SSTR5KCNH2LMNAGAA
SCHEMBL7001556 0.92 SSTR5 (0.58) HRH1SSTR5KCNH2LMNAGAA
Lithium Ion SCHEMBL7985871 0.91 HRH1 (0.52) HRH1SSTR5KCNH2LMNAGAA
SCHEMBL7970932 0.91 SSTR5 (0.55) HRH1SSTR5KCNH2LMNAGAA

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
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US claimed
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