SCHEMBL4692908

SCHEMBL4692908

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1.FC(F)(F)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
SMN1; SMN2 Q16637 7/20 0.50
HPGD P15428 1/20 0.50
PANK3 Q9H999 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
KDM4E B2RXH2 7/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
TIPARP Q7Z3E1 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL1777729 0.96 HRH3 (0.59) HRH3SMN1; SMN2HPGDPANK3MEN1
SCHEMBL4650459 0.96 HRH3 (0.59) HRH3SMN1; SMN2HPGDPANK3MEN1
SCHEMBL1779272 0.83 CCR2 (0.51) HRH3SMN1; SMN2MEN1KMT2ADPP4
SCHEMBL28780251 0.82 CCR2 (0.50) HRH3PANK3
SCHEMBL27741688 0.82 CCR2 (0.55) HRH3PANK3DPP4
SCHEMBL1777895 0.82 CCR2 (0.50) HRH3PANK3
SCHEMBL1777401 0.82 CCR2 (0.55) HRH3PANK3DPP4
SCHEMBL1944917 0.80 CCR2 (0.58) HRH3PANK3
SCHEMBL1778248 0.79 KDM4E (0.54) HRH3SMN1; SMN2HPGDPANK3MEN1
SCHEMBL1777190 0.79 CCR2 (0.47) HRH3SMN1; SMN2HPGDKDM4ELMNA

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