SCHEMBL5190175

SCHEMBL5190175

COc1ccc(CCCN2CCNCC2CC(N)=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EBP Q15125 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
EBPL Q9BY08 1/20 0.43
ABCB1 P08183 1/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL5192506 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1TMEM97LMNAGLA
SCHEMBL5190544 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1SIGMAR1LMNAKMT2A
SCHEMBL8589350 0.81 EBP (0.57) EBPSIGMAR1TMEM97EBPLABCB1
SCHEMBL5945465 0.81 SIGMAR1 (0.37) ALDH1A1EBPSIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL8590314 0.80 EBP (0.56) EBPSIGMAR1TMEM97EBPLABCB1
SCHEMBL5190692 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL8587505 0.78 EBP (0.53) EBPSIGMAR1TMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8588944 0.76 EBP (0.56) ALDH1A1EBPSIGMAR1TMEM97EBPL
SCHEMBL5191198 0.76 MAPK1 (0.56) ALDH1A1SIGMAR1ABCB1GLAKMT2A
SCHEMBL5190296 0.76 SIGMAR1 (0.44) ALDH1A1L3MBTL1SIGMAR1KDM4E

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 3 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 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