SCHEMBL15637003

SCHEMBL15637003

CCOC(=O)c1ccnc(CN(C(=O)C(F)(F)F)C2CCN(CCCc3ccccc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 4/20 0.42
▸ DCUN1D1 Q96GG9 4/20 0.42
▸ OPRM1 P35372 6/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL15636999 1.00 UBE2M (0.42) UBE2MDCUN1D1OPRM1CHRNB2CHRNB4
SCHEMBL18686361 0.79 GPR119 (0.43) —
Dihydrocinnamaldehyde SCHEMBL15636710 0.78 SLC6A4 (0.42) KCNH2
SCHEMBL15636742 0.76 SLC6A4 (0.47) KCNH2
SCHEMBL15636758 0.72 KDM5B (0.43) KCNH2
SCHEMBL15994239 0.72 KDM5B (0.47) TMEM97
SCHEMBL15637014 0.72 KDM5B (0.38) —
SCHEMBL19609230 0.71 KDM1A (0.51) CHRNB2CHRNB4CHRNA3CHRNA4KCNH2
SCHEMBL15637001 0.71 ALDH1A1 (0.38) —
SCHEMBL15637029 0.70 KDM5B (0.47) —

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
EP-2903968-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2015-08-12 — — EP disclosed
WO-2014053491-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-04-10 — — WO disclosed
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