SCHEMBL4019239

SCHEMBL4019239

Cc1cnn(C(C=O)N2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 2/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4014716 0.86 GFER (0.40) GFERMAPTLMNAALDH1A1MAPK1
SCHEMBL4459923 0.85 HSP90AA1 (0.40) MEN1KMT2AGFERMAPTLMNA
SCHEMBL4016082 0.85 DRD2 (0.38) MEN1KMT2AGFERMAPTLMNA
SCHEMBL6167745 0.79 MEN1 (0.44) MEN1KMT2AGFERMAPTLMNA
SCHEMBL4015182 0.78 DRD2 (0.40) MEN1KMT2AGFERMAPTLMNA
SCHEMBL13739199 0.74 ALDH1A1 (0.53) GFERMAPTLMNAALDH1A1MAPK1
SCHEMBL4020863 0.72 CCR1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4013769 0.71 MAPT (0.40) MEN1KMT2AGFERMAPTLMNA
SCHEMBL6168372 0.71 GFER (0.42) MEN1KMT2AGFERMAPTLMNA
SCHEMBL4016465 0.69 ALDH1A1 (0.35) MEN1KMT2AMAPTLMNAALDH1A1

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