SCHEMBL17801877

SCHEMBL17801877

CCN1CCOc2c(cccc2NCC(N)=O)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 20/20 0.55

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
SCHEMBL17801966 0.89 ACKR3 (0.56) ACKR3
SCHEMBL19582246 0.81 ACKR3 (0.60) ACKR3
SCHEMBL17801974 0.81 ACKR3 (0.57) ACKR3
SCHEMBL17802006 0.77 ACKR3 (0.62) ACKR3
SCHEMBL19582245 0.76 ACKR3 (0.53) ACKR3
SCHEMBL17801896 0.75 ACKR3 (0.57) ACKR3
SCHEMBL20873632 0.74 ACKR3 (0.39) ACKR3
SCHEMBL17801875 0.73 ACKR3 (0.47) ACKR3
SCHEMBL19582435 0.72 ACKR3 (1.00) ACKR3
SCHEMBL19582231 0.72 ACKR3 (1.00) ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP claimed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO claimed
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO disclosed