SCHEMBL4016432

SCHEMBL4016432

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
DHFR P00374 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
F12 P00748 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
CHIA Q9BZP6 1/20 0.35
ALOX12 P18054 1/20 0.34
AKR1C3 P42330 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4013769 0.92 MAPT (0.40) CCR1DHFRMAPTMEN1KMT2A
SCHEMBL4014768 0.84 CCR1 (0.58) CCR1
SCHEMBL4018625 0.83 CCR1 (0.53) CCR1MEN1KMT2AHTT
SCHEMBL3816358 0.79 CCR1 (0.39) CCR1DHFRMAPTSMN1; SMN2MEN1
SCHEMBL6168372 0.78 GFER (0.42) DHFRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4301180 0.77 CCR1 (0.45) CCR1MEN1KMT2AHTT
SCHEMBL3817009 0.76 CETP (0.37) DHFRMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL4022376 0.76 CCR1 (0.54) CCR1MEN1KMT2AHTT
SCHEMBL4021858 0.75 CCR1 (0.46) CCR1
SCHEMBL4019904 0.74 CCR1 (0.53) CCR1MAPTALDH1A1HTTLMNA

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