SCHEMBL28562199

SCHEMBL28562199

CC(C)C(=O)Oc1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 1/20 0.52
HTR2B P41595 4/20 0.51
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.47
PARP1 P09874 1/20 0.47
CHRNA7 P36544 1/20 0.45
TACR2 P21452 1/20 0.45

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
SCHEMBL28562183 0.80 HRH1 (0.49) POLBMAPTSMN1; SMN2KCNH2HTR2B
SCHEMBL993093 0.79 HTR2B (0.55) POLBMAPTSMN1; SMN2KCNH2HTR2B
SCHEMBL14916479 0.79 KCNH2 (0.51) POLBMAPTSMN1; SMN2KCNH2HTR2B
SCHEMBL992242 0.78 HTR2B (0.58) MAPTSMN1; SMN2KCNH2HTR2BALDH1A1
SCHEMBL8367704 0.77 HRH1 (0.69) KCNH2TACR2
SCHEMBL662101 0.75 PARP1 (0.64) KCNH2HTR2BALDH1A1PARP1CHRNA7
SCHEMBL17888861 0.74 HTR2B (0.62) HTR2BCHRNA7
SCHEMBL17888844 0.73 HTR2B (0.59) POLBMAPTSMN1; SMN2HTR2BHSD17B10
SCHEMBL28050009 0.73 HTR2B (0.49) POLBMAPTKCNH2HTR2BHSD17B10
SCHEMBL2546943 0.73 CACNA1H (0.61) POLBMAPTHTR2BHSD17B10TACR2

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
CN-110903278-B Preparation method of bilastine 山东罗欣药业集团恒欣药业有限公司 2022-08-16 CN disclosed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed