SCHEMBL4019916

SCHEMBL4019916

CCCOc1cc(N2CCN(C(=O)CCCl)CC2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
MAPT P10636 4/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
CCR1 P32246 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALK Q9UM73 2/20 0.47
ENPP2 Q13822 1/20 0.47
MMP2 P08253 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
LMNA P02545 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL3463407 0.91 CCR1 (0.53) RAB9AMAPTMAPK1HTTCCR1
SCHEMBL13184089 0.82 CCR1 (0.61) RAB9AMAPTMAPK1HTTCCR1
SCHEMBL3469019 0.81 CCR1 (0.50) RAB9AMAPTMAPK1HTTCCR1
SCHEMBL3464221 0.81 CCR1 (0.60) RAB9AMAPTMAPK1HTTCCR1
SCHEMBL12765632 0.78 CCR1 (0.65) RAB9ACCR1ALK
SCHEMBL1639577 0.76 CCR1 (0.69) RAB9ACCR1
SCHEMBL13162415 0.75 ADRB1 (0.56) HTTALK
SCHEMBL14724221 0.75 CCR1 (0.62) RAB9ACCR1
Hydrochloric Acid SCHEMBL3465059 0.74 ADRB1 (0.55) HTTALK
SCHEMBL3855803 0.74 CCR1 (0.55) RAB9AHTTCCR1

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