SCHEMBL4016355

SCHEMBL4016355

CCOc1cc(N2CCN(C(Cl)C=O)CC2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
MAPT P10636 5/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BRD4 O60885 2/20 0.41
PTGDR Q13258 5/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALK Q9UM73 1/20 0.38

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
SCHEMBL2353510 0.86 ALDH1A1 (0.47) CCR1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4021738 0.82 PTGDR (0.45) CCR1MAPTMAPK1HTTLMNA
SCHEMBL27786565 0.79 CCR1 (0.48) CCR1MAPTMAPK1HTTLMNA
SCHEMBL6193030 0.75 CCR1 (0.62) CCR1
SCHEMBL4020437 0.75 ALDH1A1 (0.46) CCR1MAPK1HTTLMNAALDH1A1
SCHEMBL13184089 0.75 CCR1 (0.61) CCR1MAPTMAPK1HTTLMNA
SCHEMBL2876111 0.75 ADRB1 (0.59) CCR1MAPTHTTTSHRALDH1A1
SCHEMBL4014657 0.74 CCR1 (0.43) CCR1MAPTMAPK1HTTLMNA
SCHEMBL3464221 0.74 CCR1 (0.60) CCR1MAPTMAPK1HTTLMNA
Hydrochloric Acid SCHEMBL1639434 0.74 ADRB1 (0.58) CCR1MAPTHTTTSHRALDH1A1

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