SCHEMBL7961463

SCHEMBL7961463

COc1ccc(CC2(CCN3CCC(O)(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.51
TACR1 P25103 3/20 0.44
TACR2 P21452 2/20 0.44
SSTR5 P35346 2/20 0.41
EED O75530 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP1A2 P05177 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL1387145 0.97 HRH1 (0.53) HRH1TACR1TACR2SSTR5
SCHEMBL1388865 0.96 HRH1 (0.52) HRH1TACR1
SCHEMBL7962558 0.94 HRH1 (0.50) HRH1TACR1SSTR5
SCHEMBL1387148 0.94 HRH1 (0.51) HRH1TACR1
SCHEMBL7954465 0.93 HRH1 (0.49) HRH1TACR1SSTR5HTTALDH1A1
SCHEMBL1387215 0.92 HRH1 (0.49) HRH1TACR1
SCHEMBL7963343 0.91 HRH1 (0.49) HRH1TACR1SSTR5LMNAHTT
SCHEMBL1387197 0.91 HRH1 (0.49) HRH1TACR1SSTR5KCNH2
SCHEMBL7966896 0.90 HRH1 (0.47) HRH1TACR1SSTR5HTTALDH1A1
SCHEMBL7947313 0.88 HRH1 (0.47) HRH1TACR1SSTR5KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed