SCHEMBL4736037

SCHEMBL4736037

CCOC(=O)[C@@H](N)Cc1ccc(-n2c([C@H]3CCCCN3C(=O)OCc3ccccc3)nc3cccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
TMEM97 Q5BJF2 4/20 0.44
OPRD1 P41143 1/20 0.42
ITGB1 P05556 5/20 0.41
ITGA4 P13612 5/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AADAT Q8N5Z0 1/20 0.38

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
SCHEMBL4736594 1.00 SIGMAR1 (0.44) SIGMAR1TMEM97OPRD1ITGB1ITGA4
SCHEMBL4734652 0.86 SCN9A (0.46) SIGMAR1TMEM97ITGB1ITGA4
SCHEMBL4730922 0.86 SCN9A (0.46) SIGMAR1TMEM97ITGB1ITGA4
SCHEMBL4734792 0.85 ITGA4 (0.40) SIGMAR1TMEM97ITGB1ITGA4L3MBTL1
SCHEMBL4735453 0.85 ITGA4 (0.40) SIGMAR1TMEM97ITGB1ITGA4L3MBTL1
SCHEMBL4733132 0.84 ITGB1 (0.52) SIGMAR1TMEM97ITGB1ITGA4
SCHEMBL4731194 0.84 ITGA4 (0.42) SIGMAR1TMEM97ITGB1ITGA4L3MBTL1
SCHEMBL4734887 0.84 ITGA4 (0.42) SIGMAR1TMEM97ITGB1ITGA4L3MBTL1
SCHEMBL4733135 0.84 ITGB1 (0.52) SIGMAR1TMEM97ITGB1ITGA4
SCHEMBL4736554 0.83 ITGB1 (0.55) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
WO-2008064830-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed
WO-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed