SCHEMBL6168049

SCHEMBL6168049

COc1cc(N2CCN(C(C=O)n3nc(N)c(Br)c3-c3ccccc3)CC2)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
HTR7 P34969 2/20 0.37
FYN P06241 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALK Q9UM73 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
DYRK1A Q13627 1/20 0.34
IGF1R P08069 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
TTK P33981 1/20 0.33
INSR P06213 1/20 0.33
NPM1 P06748 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
SCHEMBL6171297 0.93 CCR1 (0.45) CCR1LMNATGFBR1ACVR1
SCHEMBL27662954 0.84 CCR1 (0.37) CCR1HTR7FYNALDH1A1ALK
SCHEMBL4018787 0.84 MEN1 (0.38) ALDH1A1LMNAHTT
SCHEMBL3817009 0.83 CETP (0.37) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4014775 0.82 CCR1 (0.55) CCR1
SCHEMBL27662952 0.79 CCR1 (0.41) CCR1HTR7FYNALKLMNA
SCHEMBL4556935 0.78 CCR1 (0.43) CCR1HTR7ALDH1A1
SCHEMBL27642362 0.78 CCR1 (0.46) CCR1
SCHEMBL2876941 0.76 CCR1 (0.57) CCR1ALDH1A1SMN1; SMN2
SCHEMBL4016734 0.74 CCR1 (0.62) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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