SCHEMBL28050009

SCHEMBL28050009

CC1(C)COC(C(C)(C)c2ccc(CCN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)N1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.49
CHRNA7 P36544 1/20 0.44
KCNH2 Q12809 4/20 0.44
HRH1 P35367 1/20 0.43
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.40
TACR2 P21452 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL992242 0.85 HTR2B (0.58) HTR2BCHRNA7KCNH2HRH1PKM
SCHEMBL21815504 0.82 HTR2B (0.47) HTR2BCHRNA7KCNH2HRH1PKM
SCHEMBL993093 0.80 HTR2B (0.55) HTR2BCHRNA7KCNH2HRH1HSD17B10
SCHEMBL28459297 0.79 HRH1 (0.75) KCNH2HRH1
SCHEMBL14916479 0.78 KCNH2 (0.51) HTR2BCHRNA7KCNH2HRH1HSD17B10
SCHEMBL28562183 0.77 HRH1 (0.49) HTR2BCHRNA7KCNH2HRH1HSD17B10
SCHEMBL8296045 0.74 HTR2B (0.73) HTR2BPOLBMAPT
SCHEMBL662101 0.74 PARP1 (0.64) HTR2BCHRNA7KCNH2PARP1
SCHEMBL28562199 0.73 POLB (0.52) HTR2BCHRNA7KCNH2HSD17B10PARP1
SCHEMBL16150599 0.71 CHRNA7 (0.50) HTR2BCHRNA7PKMHSD17B10PARP1

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
CN-105272977-A Bilastine intermediate preparation method VENTUREPHARM JIANGSU CO LTD 2016-01-27 CN disclosed