SCHEMBL14077794

SCHEMBL14077794

C=C(c1ccccn1)C1CCN(C(=O)C2CCN([C@H](C)c3ccnc(N)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.47
▸ TBK1 Q9UHD2 9/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL14078571 1.00 ACKR3 (0.47) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391005 0.91 ACKR3 (0.47) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL14077861 0.89 ACKR3 (0.45) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13390965 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391222 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13409694 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391261 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391111 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13409692 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391202 0.85 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7

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-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
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