SCHEMBL14469257

SCHEMBL14469257

CNc1cc([C@H](C)N2CCC(C(=O)N3CCC(/C(=N\OC)c4ccccn4)CC3)CC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.43
▸ TBK1 Q9UHD2 18/20 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
SCHEMBL13391261 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13391202 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13409694 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13409692 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13391111 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13390965 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13391222 0.88 ACKR3 (0.42) ACKR3TBK1
SCHEMBL14188254 0.85 ACKR3 (0.46) ACKR3
SCHEMBL14188212 0.85 ACKR3 (0.46) ACKR3
SCHEMBL13391598 0.80 ACKR3 (0.41) ACKR3TBK1

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
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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