SCHEMBL28562183

SCHEMBL28562183

CCOC(=O)C(C)(C)c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
HTR2B P41595 5/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46
PARP1 P09874 2/20 0.45
CHRNA7 P36544 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PAX8 Q06710 1/20 0.43

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
SCHEMBL14916479 0.92 KCNH2 (0.51) HRH1HTR2BPOLBMAPTHSD17B10
SCHEMBL993093 0.89 HTR2B (0.55) HRH1HTR2BPOLBMAPTHSD17B10
SCHEMBL992242 0.85 HTR2B (0.58) HRH1HTR2BMAPTSMN1; SMN2KCNH2
SCHEMBL28562199 0.80 POLB (0.52) HTR2BPOLBMAPTHSD17B10SMN1; SMN2
SCHEMBL991771 0.79 HRH1 (0.79) HRH1KCNH2
SCHEMBL30307024 0.79 HRH1 (0.79) HRH1KCNH2
SCHEMBL28050009 0.77 HTR2B (0.49) HRH1HTR2BPOLBMAPTHSD17B10
SCHEMBL19924942 0.75 POLB (0.64) HTR2BPOLBMAPTHSD17B10SMN1; SMN2
SCHEMBL21815504 0.75 HTR2B (0.47) HRH1HTR2BPOLBMAPTHSD17B10
SCHEMBL8296045 0.74 HTR2B (0.73) HTR2BPOLBMAPTSMN1; SMN2PAX8

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-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN claimed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed