SCHEMBL5193050

SCHEMBL5193050

Cc1ccc(CN2CCNCC2CC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CXCR4 P61073 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GBA1 P04062 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL5190296 0.86 SIGMAR1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5190544 0.82 ALDH1A1 (0.56) KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL5190692 0.81 ALDH1A1 (0.48) KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL22640117 0.80 ALDH1A1 (0.52) KMT2AMEN1HTTPKML3MBTL1
SCHEMBL22640155 0.80 ALDH1A1 (0.52) KMT2AMEN1HTTPKML3MBTL1
SCHEMBL5191096 0.79 ALDH1A1 (0.46) PKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5191954 0.79 KMT2A (0.44) KMT2AMEN1PKMTP53LMNA
SCHEMBL5192022 0.78 KMT2A (0.48) KMT2AMEN1ALDH1A1
SCHEMBL15901734 0.76 CHIT1 (0.43) CXCR4L3MBTL1
SCHEMBL15901735 0.76 CHIT1 (0.43) CXCR4L3MBTL1

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