SCHEMBL14355989

SCHEMBL14355989

CON=C(c1ccc(C(F)(F)F)nc1)C1CCN(C(=O)C2CCN([C@H](C)c3ccnc(N)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TBK1 Q9UHD2 13/20 0.40
▸ OGA O60502 1/20 0.34

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
SCHEMBL13391538 1.00 ACKR3 (0.44) ACKR3HRH3TBK1OGA
SCHEMBL13391256 0.86 CCR5 (0.38) ACKR3TBK1
SCHEMBL13391517 0.85 ACKR3 (0.42) ACKR3TBK1
SCHEMBL14355995 0.83 ACKR3 (0.40) ACKR3TBK1
SCHEMBL13391321 0.83 ACKR3 (0.40) ACKR3TBK1
SCHEMBL13391263 0.83 CYP3A4 (0.48) —
SCHEMBL13391261 0.81 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13391111 0.81 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13409692 0.81 ACKR3 (0.42) ACKR3TBK1
SCHEMBL13391222 0.81 ACKR3 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
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