SCHEMBL17801994

SCHEMBL17801994

CC(C)N(CCN(C(=O)CNc1cccc2c1N(C)CCN(CC1CC1)C2)C(c1ccccc1)C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 18/20 0.73
DRD2 P14416 2/20 0.38

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
SCHEMBL17801993 0.85 ACKR3 (1.00) ACKR3
SCHEMBL17802046 0.76 ACKR3 (0.66) ACKR3
SCHEMBL17802019 0.73 ACKR3 (0.58) ACKR3DRD2
SCHEMBL19582527 0.72 ACKR3 (1.00) ACKR3
SCHEMBL19582438 0.72 ACKR3 (0.85) ACKR3
SCHEMBL17801949 0.71 ACKR3 (1.00) ACKR3
SCHEMBL17802016 0.71 ACKR3 (0.54) ACKR3
SCHEMBL19582249 0.71 ACKR3 (0.79) ACKR3
SCHEMBL19582217 0.67 ACKR3 (1.00) ACKR3
SCHEMBL19582304 0.65 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 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 claimed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO claimed