SCHEMBL30861575

SCHEMBL30861575

CC1(C)CN(C2CCN(CCO)CC2)c2ccc(Br)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ EGFR P00533 2/20 0.30

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
SCHEMBL31368936 0.81 HTR2A (0.30) —
SCHEMBL30861595 0.77 DRD2 (0.37) HRH1SLC18A3TLR9TLR8TLR7
SCHEMBL31368831 0.77 — —
SCHEMBL30686499 0.75 CYP11B2 (0.36) —
SCHEMBL29913368 0.74 HRH1 (0.40) HRH1TLR9TLR8TLR7MEN1
SCHEMBL29913595 0.74 MAPK1 (0.36) NOS3NOS1NOS2DRD2CYP2D6
SCHEMBL29913680 0.72 CHRM2 (0.47) DRD2MEN1CYP3A4CYP2C9KMT2A
SCHEMBL29913476 0.71 PARP2 (0.35) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL30861489 0.69 OPRK1 (0.34) SLC18A3CYP2C19CYP2D6DUSP3PTPN5
SCHEMBL29913518 0.68 CHRM2 (0.43) CYP2C19CYP2D6CYP3A4CYP2C9

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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