SCHEMBL6183977

SCHEMBL6183977

NCC1(c2cccc(Cl)c2)CCN(C(C=O)N2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 8/20 0.42
KCNH2 Q12809 1/20 0.42
DPP9 Q86TI2 5/20 0.41
DPP8 Q6V1X1 5/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
PTPN11 Q06124 4/20 0.40
CYP2D6 P10635 1/20 0.39
AKT1 P31749 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA2A P29274 1/20 0.36
NPY1R P25929 1/20 0.35

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
SCHEMBL6185063 0.89 AKT2 (0.43) SLC6A4SLC6A3KDM4EPTPN11AKT1
SCHEMBL6183465 0.89 PTPN11 (0.40) DPP4KDM4EPTPN11ALDH1A1
SCHEMBL6183516 0.88 KMT2A (0.45) KCNH2ALDH1A1TP53NPY1R
SCHEMBL6186273 0.87 KDM4E (0.48) SLC6A4DPP4DPP9DPP8KDM4E
SCHEMBL14549641 0.79 DPP4 (0.64) SLC6A4SLC6A3DPP4KCNH2DPP9
SCHEMBL4806920 0.79 MEN1 (0.46) SLC6A4SLC6A3DPP4KCNH2DPP9
Hydrochloric Acid SCHEMBL14482846 0.79 DPP4 (0.62) SLC6A4SLC6A3DPP4KCNH2DPP9
Hydrochloric Acid SCHEMBL14482848 0.79 DPP4 (0.62) SLC6A4SLC6A3DPP4KCNH2DPP9
Hydrochloric Acid SCHEMBL14483530 0.79 DPP4 (0.62) SLC6A4SLC6A3DPP4KCNH2DPP9
SCHEMBL6185472 0.78 KDM4E (0.48) SLC6A4KDM4EALDH1A1SMN1; 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 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