SCHEMBL28577448

SCHEMBL28577448

COc1ccccc1NCCNCCCc1c(N)c(=O)n(C)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 2/20 0.39
TOP2A P11388 4/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL28577447 0.73 MAPT (0.59) CHRM2GAAHTTHSD17B10CYP3A4
SCHEMBL29043490 0.71 ADRA1A (0.61) HSD17B10CYP3A4ADRA2AADRA2BADRA2C
SCHEMBL16139561 0.70 CHRM2 (0.97) CHRM2HSD17B10CYP3A4PMP22ALDH1A1
SCHEMBL22652639 0.70 CHRM2 (0.97) CHRM2HSD17B10CYP3A4PMP22ALDH1A1
SCHEMBL23467818 0.70 CHRM2 (0.97) CHRM2HSD17B10CYP3A4PMP22ALDH1A1
SCHEMBL24267803 0.69 CHRM2 (0.82) CHRM2CYP3A4PMP22NPSR1
SCHEMBL20232445 0.69 CHRM2 (0.82) CHRM2CYP3A4PMP22NPSR1
SCHEMBL28975143 0.68 MAPT (0.63) CHRM2GAAHTTHSD17B10CYP3A4
SCHEMBL24714302 0.68 ALDH1A1 (0.68) GAAHTTALOX15ALDH1A1NPSR1
SCHEMBL335313 0.67 CHRM2 (0.68) CHRM2GAAHTTADRA1DADRA1A

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-116082250-A Novel method for preparing urapidil hydrochloride 江苏润安制药有限公司 2023-05-09 CN disclosed
CN-109516960-B Preparation method of urapidil hydrochloride 河北一品制药股份有限公司 2021-07-02 CN disclosed