SCHEMBL13422211

SCHEMBL13422211

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)Nc3ccc(O)cc3)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL13422207 0.91 NPSR1 (0.50) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422214 0.87 NPSR1 (0.53) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422136 0.86 KMT2A (0.60) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422209 0.86 NPC1 (0.53) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422215 0.83 NPSR1 (0.54) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422160 0.81 KMT2A (0.49) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL14432816 0.80 KDM4E (0.50) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422380 0.80 NPSR1 (0.42) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422216 0.77 KDM4E (0.51) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13422376 0.76 NPSR1 (0.46) NPSR1HCRTR1HCRTR2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed