SCHEMBL6185063

SCHEMBL6185063

NCC1(c2ccc(Cl)cc2)CCN(C(C=O)N2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.43
GSK3B P49841 3/20 0.43
PTPN11 Q06124 4/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
AKT1 P31749 2/20 0.37
SLC6A2 P23975 2/20 0.37
SORD Q00796 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.34
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6183465 0.90 PTPN11 (0.40) PTPN11KDM4ESORDMAPTACHE
SCHEMBL6183977 0.89 SLC6A4 (0.42) PTPN11SLC6A4SLC6A3KDM4EAKT1
SCHEMBL6183516 0.82 KMT2A (0.45) MAPTACHE
SCHEMBL6186273 0.81 KDM4E (0.48) PTPN11SLC6A4KDM4EPOLBMAPT
SCHEMBL5755134 0.78 GFER (0.44) AKT2GSK3BPTPN11SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL4816285 0.73 SMN1; SMN2 (0.39) AKT2GSK3BKDM4EPOLBNPSR1
SCHEMBL6185472 0.72 KDM4E (0.48) SLC6A4KDM4EPOLBSORDMAPT
SCHEMBL6183506 0.69 KDM4E (0.47) SLC6A4SLC6A3KDM4ESLC6A2MAPT
Trifluoroacetic Acid SCHEMBL27607925 0.68 SLC6A7 (0.38) PTPN11KDM4EHTR1A
SCHEMBL4806920 0.67 MEN1 (0.46) PTPN11SLC6A4SLC6A3KDM4EHTR1A

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-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed