SCHEMBL16156008

SCHEMBL16156008

CC1(C)[C@H]2CC[C@@H](CC(=O)Nn3nc(CNC(=O)O)c4ccccc4c3=O)[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 5/20 0.42
▸ OPRM1 P35372 6/20 0.41
▸ OPRK1 P41145 6/20 0.41
▸ OPRD1 P41143 5/20 0.41
▸ CNR2 P34972 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ OPRL1 P41146 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ S1PR1 P21453 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL16156007 1.00 OGFRL1 (0.42) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL13721202 0.83 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL13721204 0.83 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL1787044 0.81 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL30796416 0.81 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL1787041 0.81 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL13858557 0.80 HPGD (0.44) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL1788439 0.79 MEN1 (0.44) ALDH1A1LMNA
SCHEMBL1788438 0.79 MEN1 (0.44) ALDH1A1LMNA
SCHEMBL30796361 0.79 MEN1 (0.44) ALDH1A1LMNA

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
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
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