SCHEMBL25619086

SCHEMBL25619086

CC(C)c1ccn(CCN)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 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
SCHEMBL22843159 0.85 MAPT (0.33) CACNA1GCACNA1HCACNA1I
SCHEMBL10080926 0.82 HSP90AA1 (0.33)
SCHEMBL23194292 0.81 CACNA1G (0.30) CACNA1GCACNA1HCACNA1I
SCHEMBL15341602 0.81 KMT2A (0.34) CACNA1GCACNA1HCACNA1I
SCHEMBL18250286 0.81 ALDH1A1 (0.33)
SCHEMBL22751123 0.79 ALDH1A1 (0.34)
SCHEMBL15133211 0.78 MPO (0.37) CACNA1GCACNA1HCACNA1I
SCHEMBL15133213 0.78 NR5A2 (0.37)
SCHEMBL13792445 0.78 CACNA1G (0.31) CACNA1GCACNA1HCACNA1I
SCHEMBL9967701 0.78 ALDH1A1 (0.36) CACNA1GCACNA1HCACNA1I

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
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed