SCHEMBL17802016

SCHEMBL17802016

[3H]C(Nc1cccc2c1OCCN(CC1CC1)C2)C(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)C(CF)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 20/20 0.54

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
SCHEMBL19582438 0.78 ACKR3 (0.85) ACKR3
SCHEMBL17801994 0.71 ACKR3 (0.73) ACKR3
SCHEMBL19582445 0.70 ACKR3 (1.00) ACKR3
SCHEMBL17801896 0.68 ACKR3 (0.57) ACKR3
SCHEMBL17801895 0.66 ACKR3 (1.00) ACKR3
SCHEMBL19582538 0.66 ACKR3 (0.79) ACKR3
SCHEMBL19582402 0.66 ACKR3 (1.00) ACKR3
SCHEMBL17801993 0.66 ACKR3 (1.00) ACKR3
SCHEMBL19582534 0.65 ACKR3 (1.00) ACKR3
SCHEMBL19582215 0.65 ACKR3 (0.82) 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 2 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 disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO disclosed