SCHEMBL4977320

SCHEMBL4977320

CC(C)(C)OC(=O)c1ccc(SCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1.Clc1ccc(CNC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.43
CCR1 P32246 4/20 0.42
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
DRD4 P21917 1/20 0.40
MCHR1 Q99705 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
TEAD1 P28347 1/20 0.38
CCR2 P41597 1/20 0.38
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1F P30939 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4201527 0.91 CCR3 (0.49) CCR3CCR1SIGMAR1DRD4MCHR1
SCHEMBL4199788 0.78 SIGMAR1 (0.57) CCR3CCR1MEN1KMT2ASIGMAR1
SCHEMBL652849 0.68 HTT (0.57) MEN1BCHEACHEBACE1KMT2A
SCHEMBL21088709 0.67 CXCR3 (0.53) MEN1KMT2ADRD4
SCHEMBL7549641 0.66 KCNA3 (0.59) MEN1KMT2ASIGMAR1DRD4MCHR1
SCHEMBL31047972 0.66 CXCR4 (0.48) MEN1KMT2ASIGMAR1TDP1CCR2
Hydrochloric Acid SCHEMBL7490796 0.66 SIGMAR1 (0.58) SIGMAR1MCHR1
SCHEMBL6388538 0.66 ACHE (0.88) MEN1BCHEACHEBACE1KMT2A
SCHEMBL4196970 0.66 HSD17B10 (0.44) MEN1KMT2A
SCHEMBL4213140 0.65 APEX1 (0.40)

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-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO disclosed