SCHEMBL4629615

SCHEMBL4629615

CCOc1ccccc1N1CCN(C(=O)c2cn(C(C=O)N3CCN(C)CC3)c3cc(Cl)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 3/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL615572 0.82 AVPR1A (0.59) MAPTSMN1; SMN2NPSR1LMNATSHR
SCHEMBL4056816 0.79 MEN1 (0.51) MAPTNPSR1TSHRKMT2AMEN1
SCHEMBL4058086 0.78 KMT2A (0.40) MAPTLMNATSHRKMT2AMEN1
SCHEMBL614542 0.78 MAPT (0.53) MAPTSMN1; SMN2NPSR1LMNATSHR
SCHEMBL4063136 0.78 MEN1 (0.41) MAPTNPSR1LMNATSHRKMT2A
SCHEMBL614946 0.78 AVPR1A (0.57) MAPTSMN1; SMN2NPSR1LMNATSHR
SCHEMBL613491 0.78 MAPT (0.53) MAPTSMN1; SMN2NPSR1LMNATSHR
SCHEMBL4062349 0.77 MGLL (0.41) KMT2AMEN1
SCHEMBL613064 0.77 AVPR1A (0.58) MAPTSMN1; SMN2NPSR1LMNATSHR
SCHEMBL28775553 0.73 AVPR1A (0.46) MAPTSMN1; SMN2TSHRKMT2AMEN1

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-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed