SCHEMBL7511254

SCHEMBL7511254

O=C(NC1CCCC1O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.54
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ NAE1 Q13564 1/20 0.49
▸ UBA3 Q8TBC4 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ CHRM1 P11229 1/20 0.47
▸ NAMPT P43490 2/20 0.47

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
SCHEMBL3427969 0.82 ALDH1A1 (0.70) GRM5HTTALDH1A1L3MBTL1MAPT
SCHEMBL27761583 0.82 ALDH1A1 (0.55) GRM5HTTALDH1A1L3MBTL1MAPT
SCHEMBL3427705 0.79 ALDH1A1 (0.74) GRM5HTTALDH1A1L3MBTL1MAPT
SCHEMBL7416002 0.79 HDAC1 (0.54) GRM5HTTALDH1A1L3MBTL1MAPT
SCHEMBL7348189 0.79 NPSR1 (0.58) HTTHDAC6CNR1CHRM1NAMPT
SCHEMBL1116630 0.79 ALDH1A1 (0.78) GRM5HTTALDH1A1L3MBTL1MAPT
SCHEMBL7348185 0.79 NPSR1 (0.58) HTTHDAC6CNR1CHRM1NAMPT
SCHEMBL13495007 0.79 NPSR1 (0.58) HTTHDAC6CNR1CHRM1NAMPT
SCHEMBL8740547 0.79 NPSR1 (0.58) HTTHDAC6CNR1CHRM1NAMPT
SCHEMBL7348191 0.79 NPSR1 (0.58) HTTHDAC6CNR1CHRM1NAMPT

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-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 — — EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
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