SCHEMBL4013769

SCHEMBL4013769

Cc1c(Cl)c(N)nn1C(C=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GFER P55789 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR1 P32246 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
SMO Q99835 2/20 0.39
DHFR P00374 3/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
F12 P00748 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 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
SCHEMBL4016432 0.92 CCR1 (0.38) MAPTGFERLMNAMEN1KMT2A
SCHEMBL6168372 0.86 GFER (0.42) MAPTGFERLMNAMEN1KMT2A
SCHEMBL4014768 0.83 CCR1 (0.58) CCR1
SCHEMBL27662977 0.81 CCR1 (0.44) MAPTGFERLMNAMEN1KMT2A
SCHEMBL5356918 0.78 PANK3 (0.37) MAPTGFERLMNAMEN1KMT2A
SCHEMBL4018625 0.78 CCR1 (0.53) MEN1KMT2AHTTCCR1
SCHEMBL4022376 0.77 CCR1 (0.54) MEN1KMT2AHTTCCR1
SCHEMBL4021722 0.77 CCR1 (0.45) MAPTLMNACCR1
SCHEMBL6168244 0.76 MAPT (0.36) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4021858 0.76 CCR1 (0.46) CCR1

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 3 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