SCHEMBL4698574

SCHEMBL4698574

CCCCOC(=O)N1CCN(C(C)(C)CC)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
RECQL P46063 1/20 0.37
PLA2G2A P14555 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 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
SCHEMBL1991233 0.89 POLB (0.55) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL15932258 0.87 POLB (0.59) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL23561209 0.85 ALDH1A1 (0.53) POLBSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL9405372 0.85 POLB (0.73) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL953403 0.81 SMN1; SMN2 (0.59) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL5594520 0.78 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL5594524 0.78 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL14590615 0.78 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL12871784 0.78 HRH3 (0.43) POLBSMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL27826063 0.78 SMN1; SMN2 (0.65) POLBSMN1; SMN2LMNAHRH2HRH1

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-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed