SCHEMBL5193992

SCHEMBL5193992

COc1ccc(CC(=O)N2CCN(Cc3ccc(OC)c(Cl)c3)C(CC(N)=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GFER P55789 1/20 0.48
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 5/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5191068 0.87 LMNA (0.44) ALDH1A1OPRM1OPRK1LMNAUTS2R
SCHEMBL5192869 0.86 OPRK1 (0.46) OPRM1OPRK1LMNAMEN1KMT2A
SCHEMBL5192480 0.81 SIGMAR1 (0.48) SMN1; SMN2HPGDGAAMAPTALDH1A1
SCHEMBL5278583 0.81 LMNA (0.44) GFERALDH1A1LMNAKDM4E
SCHEMBL5190010 0.80 POLB (0.60) SMN1; SMN2HPGDGAAALDH1A1MEN1
SCHEMBL5190760 0.80 ALDH1A1 (0.49) SMN1; SMN2GFERMAPTALDH1A1MEN1
SCHEMBL5193163 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL5190692 0.78 ALDH1A1 (0.48) ALDH1A1OPRM1OPRK1LMNAUTS2R
SCHEMBL5207365 0.77 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5210351 0.76 FAAH (0.46) MAPTLMNARAB9AMEN1KMT2A

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 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