SCHEMBL4657697

SCHEMBL4657697

O=C(O)N1CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX7 Q99572 2/20 0.43
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 1/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39

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
SCHEMBL4657693 1.00 RIPK1 (0.47) RIPK1POLBKMT2AALDH1A1RAB9A
SCHEMBL25328385 0.85 POLB (0.50) RIPK1POLBKMT2AMEN1
SCHEMBL25328383 0.85 POLB (0.50) RIPK1POLBKMT2AMEN1
SCHEMBL18711396 0.83 POLB (0.61) RIPK1POLBKMT2AMEN1
SCHEMBL18863621 0.83 RIPK1 (0.64) RIPK1POLBKMT2AALDH1A1RAB9A
SCHEMBL4070782 0.83 RIPK1 (0.64) RIPK1POLBKMT2AALDH1A1RAB9A
SCHEMBL4032833 0.83 RIPK1 (0.64) RIPK1POLBKMT2AALDH1A1RAB9A
SCHEMBL12712926 0.82 NR1H2 (0.53) RIPK1
SCHEMBL7133590 0.82 RIPK1 (0.54) RIPK1KMT2AALDH1A1MEN1
SCHEMBL25327354 0.81 RIPK1 (0.58) RIPK1

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-2001831-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113309-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed