SCHEMBL2353590

SCHEMBL2353590

CCOc1cc(N2CCN(C(C=O)n3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.57
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MGLL Q99685 1/20 0.34
LMNA P02545 3/20 0.33
ALK Q9UM73 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
IGF1R P08069 1/20 0.32
BRD4 O60885 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.31
METAP1 P53582 1/20 0.31
PTGDR Q13258 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1638044 0.80 CCR1 (0.87) CCR1
SCHEMBL2357443 0.79 CCR1 (0.41) CCR1
SCHEMBL3635896 0.79 CCR1 (0.48) CCR1ALKMAPTMETAP1
SCHEMBL3635666 0.78 CCR1 (0.50) CCR1ALKMAPT
SCHEMBL3637059 0.77 CCR1 (0.49) CCR1ALKMAPT
SCHEMBL3632308 0.77 CCR1 (0.46) CCR1ALKMAPTBRD4
SCHEMBL3634930 0.77 CCR1 (0.46) CCR1ALKMAPTPTGDR
SCHEMBL4696966 0.77 CCR1 (0.51) CCR1ALKMAPT
SCHEMBL2354678 0.76 CCR1 (0.48) CCR1ALKMAPT
SCHEMBL3640142 0.76 CCR1 (0.48) CCR1LMNAALKMAPT

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-2352501-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS ChemoCentryx, Inc. (US) 2011-08-10 EP disclosed
WO-2010051561-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 WO disclosed