SCHEMBL28045281

SCHEMBL28045281

OC(CCN1CCNCC1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CXCR4 P61073 2/20 0.39
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
SIGMAR1 Q99720 4/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
RAD52 P43351 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32

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
SCHEMBL1408746 0.80 SMN1; SMN2 (0.45) HSD17B10SMN1; SMN2POLBCXCR4ANPEP
SCHEMBL9329894 0.78 SMN1; SMN2 (0.43) HSD17B10SMN1; SMN2POLBCXCR4ANPEP
SCHEMBL9801548 0.78 SMN1; SMN2 (0.46) HSD17B10SMN1; SMN2POLBCXCR4ANPEP
SCHEMBL22320733 0.78 SMN1; SMN2 (0.46) HSD17B10SMN1; SMN2POLBCXCR4ANPEP
SCHEMBL8370583 0.77 ANPEP (0.44) HSD17B10SMN1; SMN2POLBCXCR4ANPEP
SCHEMBL1408997 0.77 SIGMAR1 (0.39) SMN1; SMN2SIGMAR1CHRM5CHRM3MEN1
Hydrochloric Acid SCHEMBL6960637 0.77 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6956666 0.75 SIGMAR1 (0.38) SMN1; SMN2SIGMAR1CHRM5CHRM3MEN1
Methane SCHEMBL2871267 0.75 SIGMAR1 (0.38) SMN1; SMN2SIGMAR1CHRM5CHRM3MEN1
SCHEMBL1904293 0.75 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2POLBCXCR4ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111142-A Preparation method of hydroxypiperaquine and phosphate thereof SUZHOU MOER PHARMACEUTICAL CO LTD 2015-12-02 CN claimed
CN-105111142-B Hydroxypiperaquin and its method for production of phosphate salt 苏州摩尔医药有限公司 2018-01-05 CN disclosed
CN-105111142-A Preparation method of hydroxypiperaquine and phosphate thereof SUZHOU MOER PHARMACEUTICAL CO LTD 2015-12-02 CN disclosed
CN-105111142-A Preparation method of hydroxypiperaquine and phosphate thereof SUZHOU MOER PHARMACEUTICAL CO LTD 2015-12-02 CN disclosed