SCHEMBL4018787

SCHEMBL4018787

Nc1nn(C(C=O)N2CCN(c3ccc(F)cc3)CC2)c(-c2ccccc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A7 Q99884 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
RAD52 P43351 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
DHFR P00374 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3817009 0.91 CETP (0.37) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL6168049 0.84 CCR1 (0.37) LMNAALDH1A1HTT
SCHEMBL6168372 0.83 GFER (0.42) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL27662972 0.82 GRIN1 (0.38) MEN1KMT2ASLC6A7LMNAALDH1A1
SCHEMBL27662968 0.76 MEN1 (0.40) MEN1KMT2ASLC6A7LMNAALDH1A1
SCHEMBL4013769 0.74 MAPT (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6168244 0.73 MAPT (0.36) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4314235 0.73 SMO (0.37) MEN1KMT2ASLC6A7LMNAALDH1A1
SCHEMBL2874438 0.72 GFER (0.49) MEN1KMT2ASLC6A7LMNAMAPT
SCHEMBL27662994 0.72 DRD4 (0.36) MEN1KMT2ALMNAALDH1A1MAPT

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