SCHEMBL19112809

SCHEMBL19112809

O=CNCC1CCN(CCNS(=O)(=O)C2CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
PRMT6 Q96LA8 2/20 0.33
CARM1 Q86X55 1/20 0.33
KCNH2 Q12809 2/20 0.32
HTR4 Q13639 2/20 0.32
NPY5R Q15761 2/20 0.32
HDAC6 Q9UBN7 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GSK3B P49841 1/20 0.31
NPY1R P25929 1/20 0.30

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
SCHEMBL1428125 0.79 KDM1A (0.47) KDM1AGNAI3GNAO1GNAI1PRMT6
SCHEMBL1428801 0.79 KDM1A (0.46) KDM1AKCNH2HTR4HDAC6ALDH1A1
SCHEMBL7797385 0.72 DRD2 (0.43) KDM1AKCNH2HTR4GSK3B
SCHEMBL16478282 0.71 KDM1A (0.40) KDM1AKCNH2HTR4NPY5RALDH1A1
SCHEMBL19113092 0.70 DRD4 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4271496 0.70 KCNH2 (0.50) KCNH2HTR4GSK3B
SCHEMBL4273130 0.70 CACNA1I (0.49) KDM1AKCNH2HTR4HDAC6GSK3B
SCHEMBL19113009 0.70 KCNH2 (0.41) KDM1AKCNH2HTR4GSK3B
SCHEMBL4275652 0.70 CACNA1I (0.67) KCNH2
SCHEMBL3933000 0.70 ADH1B (0.53) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed