SCHEMBL4015182

SCHEMBL4015182

O=CC(N1CCN(c2ccc(F)cc2)CC1)n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
RAD52 P43351 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
SCHEMBL6167745 0.79 MEN1 (0.44) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL4014716 0.79 GFER (0.40) DRD2DRD4DRD3SMN1; SMN2LMNA
SCHEMBL4016082 0.78 DRD2 (0.38) DRD2DRD4DRD3SMN1; SMN2LMNA
SCHEMBL4019239 0.78 MEN1 (0.40) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL4459923 0.78 HSP90AA1 (0.40) DRD2DRD4DRD3SMN1; SMN2LMNA
SCHEMBL27662965 0.77 NPSR1 (0.40) DRD2DRD4DRD3SMN1; SMN2LMNA
SCHEMBL13739199 0.76 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL31127670 0.76
SCHEMBL4020863 0.72 CCR1 (0.44) DRD2DRD4DRD3SMN1; SMN2LMNA
SCHEMBL4014691 0.70 MAPT (0.49) SMN1; SMN2LMNAALDH1A1MAPK1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed