SCHEMBL3817009

SCHEMBL3817009

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DHODH Q02127 1/20 0.35
DRD4 P21917 2/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
DHFR P00374 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
HTR7 P34969 1/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4018787 0.91 MEN1 (0.38) LMNAALDH1A1MAPTKDM4EDHFR
SCHEMBL6171297 0.85 CCR1 (0.45) LMNAMAPT
SCHEMBL6168049 0.83 CCR1 (0.37) LMNAALDH1A1SMN1; SMN2HTR7HTT
SCHEMBL27662994 0.81 DRD4 (0.36) CETPLMNAALDH1A1DRD4MAPT
SCHEMBL6167708 0.79 CCR1 (0.43) CETP
SCHEMBL4016432 0.76 CCR1 (0.38) LMNAALDH1A1MAPTDHFRSMN1; SMN2
SCHEMBL27662991 0.75 ALDH1A1 (0.38) CETPLMNAALDH1A1DRD4MAPT
SCHEMBL4019113 0.74 CCR1 (0.43) LMNAMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL27662972 0.73 GRIN1 (0.38) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL6168372 0.73 GFER (0.42) LMNAALDH1A1MAPTDHFRNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
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