SCHEMBL4037861

SCHEMBL4037861

CN(c1cccnc1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ GBA1 P04062 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 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
SCHEMBL2482820 0.88 KDM4E (0.42) CYP3A4GBA1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5616198 0.86 KDM4E (0.41) CYP3A4GBA1KDM4EALDH1A1
SCHEMBL27879837 0.86 GBA1 (0.47) CYP3A4GBA1KDM4EALDH1A1
SCHEMBL27837322 0.83 GBA1 (0.50) CYP3A4GBA1KDM4EALDH1A1MEN1
SCHEMBL28759723 0.81 CHRNB2 (0.41) GBA1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6575818 0.79 NPC1 (0.42) KDM4EMEN1KMT2AOPRM1OPRL1
Hydrochloric Acid SCHEMBL14119669 0.78 KDM4E (0.58) CYP3A4KDM4CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10446673 0.74 GBA1 (0.51) CYP3A4GBA1KDM4EALDH1A1OPRM1
Hydrochloric Acid SCHEMBL27339224 0.74 GBA1 (0.51) CYP3A4GBA1KDM4EALDH1A1OPRM1
SCHEMBL9417424 0.74 GBA1 (0.40) CYP3A4GBA1KDM4EALDH1A1

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-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 — — EP claimed
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