SCHEMBL4304948

SCHEMBL4304948

CSc1c(Cl)c(-c2ccc(F)cc2)nn1C(C=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
LMNA P02545 5/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMO Q99835 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CCR1 P32246 1/20 0.33
PRCP P42785 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6168244 0.82 MAPT (0.36) MAPTLMNATP53SMN1; SMN2ALDH1A1
SCHEMBL4314235 0.78 SMO (0.37) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6169409 0.78 HRH3 (0.41) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL4021722 0.76 CCR1 (0.45) MAPTLMNACCR1
SCHEMBL4013769 0.75 MAPT (0.40) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL27786575 0.75 CCR1 (0.39) MAPTLMNATP53ALDH1A1GAA
SCHEMBL5356918 0.74 PANK3 (0.37) MAPTLMNATP53ALDH1A1GAA
SCHEMBL14015698 0.73 HTR2A (0.36)
SCHEMBL4016365 0.73 LMNA (0.43) MAPTLMNATSHRCCR1
SCHEMBL2870522 0.71 CCR1 (0.57) MAPTTP53MEN1KMT2ACCR1

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