SCHEMBL5193499

SCHEMBL5193499

COc1ccc(CCCNC(=O)CC2CN(C(=O)Nc3ccccc3)CCN2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
NAMPT P43490 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
CCR3 P51677 1/20 0.44

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
SCHEMBL5193950 0.89 CCR2 (0.46) NAMPTMEN1KMT2A
SCHEMBL5193560 0.84 CCR2 (0.48) NAMPTALDH1A1MEN1MAPTKMT2A
SCHEMBL5193468 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL5190962 0.81 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL5194091 0.80 FAAH (0.53) FAAHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5195658 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL5213606 0.80 KMT2A (0.60) ALDH1A1KDM4EMEN1MAPTHTT
SCHEMBL5193934 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL5193979 0.78 NAMPT (0.54) NAMPTMEN1MAPTKMT2AHSD17B10
SCHEMBL5190181 0.76 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1KDM4EMEN1

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