SCHEMBL30861595

SCHEMBL30861595

CC1(C)C(=O)N(C2CCN(CCO)CC2)c2ccc(Br)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ MARK3 P27448 2/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ OPRM1 P35372 3/20 0.31
▸ OPRK1 P41145 3/20 0.31
▸ OPRL1 P41146 3/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL30861575 0.77 HRH1 (0.35) DRD2SLC6A4SLC18A3PIK3CAMTOR
SCHEMBL30861533 0.70 MARK3 (0.39) SLC18A3PIK3CAMTORMARK3WNT1
SCHEMBL13234100 0.60 GAA (0.41) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL31079654 0.60 MAP4K1 (0.41) —
SCHEMBL181663 0.59 OPRM1 (0.57) DRD2OPRM1OPRK1OPRL1
SCHEMBL12959486 0.59 DRD3 (0.43) DRD2SLC18A3DYRK1AALDH1A1HRH1
SCHEMBL24151346 0.58 PRKAA2 (0.55) ALDH1A1
SCHEMBL31079863 0.58 PRKDC (0.31) —
SCHEMBL1569976 0.58 SLC18A3 (0.48) SLC18A3ALDH1A1POLBMAPTNPSR1
SCHEMBL12659374 0.58 KDM4E (0.38) ALDH1A1OPRM1OPRK1MAPTCYP3A4

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
Send feedback