SCHEMBL5190296

SCHEMBL5190296

COc1ccc(CN2CCNCC2CC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
OPRK1 P41145 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK2 O96017 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL5193050 0.86 KMT2A (0.41) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5192022 0.86 KMT2A (0.48) OPRM1KDM4EALDH1A1SIRT2SIRT1
SCHEMBL5190544 0.86 ALDH1A1 (0.56) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL5190692 0.85 ALDH1A1 (0.48) OPRK1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL28231989 0.82 SIGMAR1 (0.46) SIGMAR1
SCHEMBL19617763 0.81 SIGMAR1 (0.57) SIGMAR1SPHK2ALDH1A1L3MBTL1
SCHEMBL26697674 0.81 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2SPHK2
SCHEMBL5195704 0.81 SPHK2 (0.52) SIGMAR1OPRK1SMN1; SMN2OPRM1KDM4E
SCHEMBL5192506 0.77 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL5191954 0.76 KMT2A (0.44) ALDH1A1SIRT2SIRT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed