SCHEMBL15640904

SCHEMBL15640904

O=C(O)N1C[C@H]2C[C@@H](Oc3cccc(Br)c3)C[C@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MGLL Q99685 6/20 0.48
FAAH O00519 1/20 0.48
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT5A Q9NQR1 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL15640905 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL16242384 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL17633323 0.84 GRIN1 (0.56) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL27076410 0.84 GRIN1 (0.56) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL17633327 0.84 GRIN1 (0.56) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL15640879 0.83 GRIN1 (0.43) MGLLFAAHGRIN1GRIN2BKDM4E
SCHEMBL16242387 0.83 GRIN1 (0.43) MGLLFAAHGRIN1GRIN2BKDM4E
SCHEMBL15640880 0.83 GRIN1 (0.43) MGLLFAAHGRIN1GRIN2BKDM4E
SCHEMBL2117772 0.83 NR1H2 (0.46) SLC6A2SLC6A4SLC6A3MGLLFAAH
SCHEMBL2112991 0.83 NR1H2 (0.46) SLC6A2SLC6A4SLC6A3MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed