SCHEMBL4021738

SCHEMBL4021738

CCOc1cc(N2CCN(C(Cl)C=O)[C@@H](C)C2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 6/20 0.45
CCR1 P32246 4/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL3817807 0.88 CCR1 (0.44) PTGDRCCR1ALDH1A1MAPTLMNA
SCHEMBL4016355 0.82 CCR1 (0.45) PTGDRCCR1ALDH1A1TSHRMAPT
SCHEMBL27764778 0.81 PTGDR (0.46) PTGDRCCR1ALDH1A1TSHRMAPT
SCHEMBL4021713 0.78 NOTUM (0.40) ALDH1A1MAPTLMNAHTT
SCHEMBL4014671 0.78 NOTUM (0.40) ALDH1A1MAPTLMNAHTT
SCHEMBL13184085 0.76 CCR1 (0.52) PTGDRCCR1ALDH1A1TSHRMAPT
SCHEMBL3464912 0.75 CCR1 (0.51) PTGDRCCR1ALDH1A1TSHRMAPT
SCHEMBL3464913 0.75 CCR1 (0.51) PTGDRCCR1ALDH1A1TSHRMAPT
SCHEMBL4323120 0.75 CCR1 (0.38) PTGDRCCR1NPSR1
SCHEMBL13428956 0.72 BCL2A1 (0.47) PTGDRCCR1ALDH1A1TSHRMAPT

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