SCHEMBL30861489

SCHEMBL30861489

CC1(C)CN(C2CCN(CCO)CC2)c2ncc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.34
▸ HTT P42858 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ ABL2 P42684 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ KHK P50053 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL30861533 0.78 MARK3 (0.39) OPRK1HTTCNR2WNT1GSK3B
SCHEMBL30861560 0.75 FPR2 (0.45) —
SCHEMBL15779564 0.70 HSD17B10 (0.34) OPRK1
SCHEMBL30861575 0.69 HRH1 (0.35) WNT1GSK3BDYRK1AABL1EGFR
SCHEMBL13010703 0.61 HTT (0.50) OPRK1HTTCYP2D6CYP2C19DUSP3
SCHEMBL1516751 0.61 OPRK1 (0.55) OPRK1HTT
SCHEMBL30721153 0.61 OPRK1 (0.55) OPRK1HTT
SCHEMBL1516713 0.60 OPRK1 (0.50) OPRK1HTTCNR2
SCHEMBL15882428 0.60 NR1H2 (0.39) OPRK1
SCHEMBL29599767 0.59 CNR2 (0.38) OPRK1CNR2

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
EP-4605395-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS Dong-A ST Co., Ltd. (KR) 2025-08-27 — — EP disclosed
WO-2024084448-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 — — WO disclosed
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