SCHEMBL3963692

SCHEMBL3963692

O=C(c1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.55
NPSR1 Q6W5P4 1/20 0.50
MGLL Q99685 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8240374 1.00 KDM2B (0.55) KDM2BNPSR1MGLLMEN1LMNA
SCHEMBL4777663 0.84 MGLL (0.47) MGLLLMNAKMT2A
SCHEMBL11023752 0.83 SLC6A2 (0.42) KDM2BL3MBTL1
SCHEMBL953570 0.83 NPSR1 (0.59) KDM2BNPSR1MGLLMEN1KMT2A
SCHEMBL16409435 0.83 KDM2B (0.69) KDM2BNPSR1MGLLMEN1KMT2A
SCHEMBL31375622 0.83 KDM2B (0.69) KDM2BNPSR1MGLLMEN1KMT2A
SCHEMBL3957507 0.83 CDK5 (0.47) MGLLMEN1LMNAKMT2A
SCHEMBL12023170 0.83 CDK5 (0.47) MGLLMEN1LMNAKMT2A
SCHEMBL4752711 0.83 ALDH1A1 (0.50) NPSR1MGLLMEN1LMNAKMT2A
SCHEMBL4671412 0.82 MGLL (0.49) KDM2BMGLLLMNAKMT2A

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-2081927-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008036216-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed