SCHEMBL3469385

SCHEMBL3469385

CC(C)(C)N1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
SLC18A3 Q16572 2/20 0.40
DRD2 P14416 3/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRCP P42785 1/20 0.35
USP5 P45974 1/20 0.35
TSHR P16473 2/20 0.35
QDPR P09417 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL18707815 0.83 SLC18A3 (0.50) SLC18A3DRD2SMN1; SMN2TSHR
SCHEMBL14445324 0.81 MAPK14 (0.41) DRD2
SCHEMBL13141241 0.81 TP53 (0.48) SLC18A3DRD2MEN1KMT2ATSHR
SCHEMBL16879289 0.81 ESR2 (0.55) CYP3A4CYP2C9QDPR
SCHEMBL18714255 0.81 DRD2 (0.57) SLC18A3DRD2MEN1KMT2A
SCHEMBL15528823 0.81 SLC18A3 (0.49) SLC18A3DRD2QDPR
SCHEMBL16936788 0.81 BRD4 (0.47) BRD4CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8026705 0.81 DRD2 (0.53) SLC18A3DRD2CYP2C9SMN1; SMN2TSHR
SCHEMBL12631542 0.79 DRD2 (0.58) DRD2MEN1KMT2ALMNA
SCHEMBL12273069 0.79 NPC1 (0.47) BRD4SLC18A3DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 WO disclosed
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 WO disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed