SCHEMBL22019436

SCHEMBL22019436

CCC(O)CN1CCC(CC(=O)NCc2cc(C)on2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
AADAT Q8N5Z0 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PDE10A Q9Y233 1/20 0.39
SLC18A3 Q16572 1/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL22019435 0.89 EPHX2 (0.42) EPHX2AADATKDM4EPDE10AEGFR
SCHEMBL4277690 0.87 KCNH2 (0.48) EPHX2AADATKDM4EPDE10AEGFR
SCHEMBL13569686 0.84 EPHX2 (0.40) EPHX2AADATKDM4EPDE10AEGFR
SCHEMBL20056384 0.83 EPHX2 (0.39) EPHX2AADATKDM4EPDE10AEGFR
SCHEMBL22019438 0.77 EPHX2 (0.42) EPHX2AADATPDE10ASLC18A3HPGD
SCHEMBL17285624 0.75 ADRA2A (0.42) KDM4ESLC18A3ALDH1A1PRMT5WDR77
SCHEMBL26790048 0.71 EPHX2 (0.55) EPHX2KDM4EPDE10AEGFRALDH1A1
SCHEMBL4279308 0.69 KDM4E (0.50) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL22020141 0.67 USP30 (0.61) EPHX2SLC18A3ALDH1A1KMT2AFPR2
SCHEMBL2755867 0.67 EPHX2 (0.58) EPHX2PDE10AEGFRALDH1A1

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 1 patent. 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