SCHEMBL29619947

SCHEMBL29619947

O=C(Cc1ccc2ncccc2c1)N1CCC(N2CNc3c(Cl)cccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 14/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ECE2 P0DPD6 1/20 0.41
▸ DOT1L Q8TEK3 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CHRNA7 P36544 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
SCHEMBL24368197 0.80 CALCRL (0.53) CCR3
SCHEMBL29518303 0.80 CALCRL (0.53) CCR3
SCHEMBL22605756 0.78 CCR3 (0.48) CCR3
SCHEMBL22605648 0.78 OPRM1 (0.46) CCR3ECE2HDAC3HDAC1HDAC2
SCHEMBL30317255 0.77 CCR3 (0.44) CCR3ECE2HDAC3HDAC1HDAC2
SCHEMBL31286039 0.75 OPRM1 (0.47) CCR3ECE2HDAC3HDAC1HDAC2
SCHEMBL22588141 0.73 PLD2 (0.51) CCR3
SCHEMBL22605633 0.73 TNKS (0.56) CCR3
SCHEMBL31285839 0.73 PLD2 (0.51) CCR3
SCHEMBL22605698 0.72 PLD2 (0.62) —

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-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
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