SCHEMBL2357443

SCHEMBL2357443

O=CC(N1CCN(c2cc(OCCF)c(Cl)cc2F)CC1)n1nc(-c2ncc[nH]2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
HTR1A P08908 2/20 0.30
DRD2 P14416 2/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30

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
SCHEMBL1637373 0.81 CCR1 (0.64) CCR1
SCHEMBL2353590 0.79 CCR1 (0.57) CCR1
SCHEMBL28812577 0.79 CCR1 (0.54) CCR1HTR1AHTR2A
SCHEMBL2351890 0.77 HTT (0.40)
SCHEMBL3639958 0.76 ALDH1A1 (0.35) CCR1
SCHEMBL28812576 0.75 CCR1 (0.58) CCR1
SCHEMBL16500356 0.74 SRC (0.40) CCR1
SCHEMBL2353633 0.73 CCR1 (0.61) CCR1
SCHEMBL1638723 0.73 CCR1 (0.67) CCR1
SCHEMBL12626194 0.72 CCR1 (0.58) 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-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