SCHEMBL4020437

SCHEMBL4020437

COc1cc(N2CCN(C(Cl)C=O)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SIRT6 Q8N6T7 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALK Q9UM73 1/20 0.36
APP P05067 1/20 0.36
HTR7 P34969 1/20 0.36
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGDR Q13258 1/20 0.35
KMT2A Q03164 1/20 0.35

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) ALDH1A1LMNACCR1SMN1; SMN2KCNH2
SCHEMBL2384047 0.76 SIRT6 (0.58) ALDH1A1SIRT6MAPK1NPC1POLB
SCHEMBL5528296 0.76 MAPK1 (0.49) ALDH1A1SIRT6MAPK1LMNARAB9A
SCHEMBL23705839 0.76 ALDH1A1 (0.55) ALDH1A1SIRT6MAPK1LMNARAB9A
SCHEMBL31091978 0.76 ALDH1A1 (0.55) ALDH1A1SIRT6MAPK1LMNARAB9A
SCHEMBL4016355 0.75 CCR1 (0.45) ALDH1A1MAPK1LMNARAB9ACCR1
SCHEMBL4710556 0.75 OGA (0.42) KMT2A
SCHEMBL807418 0.74 ALDH1A1 (0.58) ALDH1A1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL16432036 0.74 ALDH1A1 (0.47) ALDH1A1SIRT6MAPK1LMNAPOLB
SCHEMBL4710429 0.73 IGF1R (0.44) ALDH1A1SMN1; SMN2KMT2A

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