SCHEMBL31330397

SCHEMBL31330397

CN1CC2(CCC2)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
NOTUM Q6P988 3/20 0.40
BRD4 O60885 1/20 0.35
PIK3CA P42336 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
BACE1 P56817 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL22479310 0.87 SLC18A3 (0.45) SLC18A3SIGMAR1BRD4PIK3CADRD2
SCHEMBL1822246 0.85 SLC18A3 (0.42) SLC18A3SIGMAR1NOTUMBRD4PIK3CA
SCHEMBL22471588 0.85 PIK3CA (0.45) SLC18A3SIGMAR1NOTUMBRD4PIK3CA
SCHEMBL1823222 0.80 SLC18A3 (0.38) SLC18A3SIGMAR1BRD4BACE1MEN1
SCHEMBL1820468 0.80 SLC18A3 (0.38) SLC18A3SIGMAR1BRD4BACE1MEN1
SCHEMBL17771680 0.79 BRD4 (0.37) SLC18A3SIGMAR1NOTUMBRD4GABRA1
SCHEMBL30336432 0.79 BRD4 (0.37) SLC18A3SIGMAR1NOTUMBRD4GABRA1
SCHEMBL30954694 0.79 NOTUM (0.46) SLC18A3SIGMAR1NOTUMBRD4BACE1
SCHEMBL29076740 0.79 NOTUM (0.46) SLC18A3SIGMAR1NOTUMBRD4BACE1
SCHEMBL31330416 0.79 NOTUM (0.43) NOTUM

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-4747242-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE Horizon Therapeutics Ireland Dac (IE) 2026-05-27 EP disclosed
WO-2025019715-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-01-23 WO disclosed