SCHEMBL19178596

SCHEMBL19178596

CCN1CCc2c(cccc2OCC(=O)N(CCN(C)C)Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CARM1 Q86X55 1/20 0.44
▸ ACACB O00763 2/20 0.43
▸ S1PR5 Q9H228 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL17687243 0.93 ACKR3 (0.55) ACKR3HRH3S1PR5ALDH1A1PRMT5
SCHEMBL16269320 0.90 ACKR3 (0.53) ACKR3CARM1ACACBS1PR5PRMT5
SCHEMBL17686913 0.89 ACKR3 (0.67) ACKR3HRH3CARM1ACACBS1PR5
SCHEMBL19177304 0.89 ACKR3 (0.56) ACKR3CARM1S1PR5ALDH1A1PRMT5
SCHEMBL17687062 0.88 ACKR3 (0.58) ACKR3HRH3ACACBPRMT5WDR77
SCHEMBL16269511 0.87 ACKR3 (0.57) ACKR3ALDH1A1TRPM8
SCHEMBL16269024 0.85 ACKR3 (0.57) ACKR3CARM1S1PR5PRMT5WDR77
SCHEMBL17687010 0.85 ACKR3 (0.76) ACKR3
SCHEMBL19178006 0.85 ACKR3 (0.58) ACKR3CARM1ACACBS1PR5ALDH1A1
SCHEMBL19177882 0.84 ACKR3 (0.51) ACKR3CARM1ACACBS1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 — — EP disclosed
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