SCHEMBL22019435

SCHEMBL22019435

Cc1cc(CNC(=O)CC2CCN(CC(C)O)CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
EGFR P00533 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
LMNA P02545 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
SCHEMBL22019436 0.89 EPHX2 (0.41) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13569686 0.89 EPHX2 (0.40) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4277690 0.89 KCNH2 (0.48) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20056384 0.85 EPHX2 (0.39) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4279308 0.71 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL26790048 0.70 EPHX2 (0.55) EPHX2KDM4EALDH1A1HSD17B10EGFR
SCHEMBL9891900 0.69 EPHX2 (0.53) EPHX2ALDH1A1PDE10ALMNA
SCHEMBL2755867 0.68 EPHX2 (0.58) EPHX2ALDH1A1EGFRPDE10ALMNA
SCHEMBL1964743 0.68 EPHX2 (0.52) EPHX2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4273047 0.67 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10RECQL

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