SCHEMBL31717569

SCHEMBL31717569

CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 15/20 0.76
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 1/20 0.70
THRB P10828 1/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
TRPV1 Q8NER1 2/20 0.62
P2RY12 Q9H244 1/20 0.56

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
SCHEMBL19748515 0.86 PANK3 (1.00) PANK3ALDH1A1MAPTTRPV1
SCHEMBL21406284 0.86 PANK3 (1.00) PANK3TRPV1
SCHEMBL21423908 0.86 PANK3 (0.79) PANK3TRPV1
SCHEMBL21406478 0.85 PANK3 (0.78) PANK3TRPV1
SCHEMBL21406318 0.85 PANK3 (1.00) PANK3TRPV1
SCHEMBL21423770 0.85 PANK3 (0.78) PANK3TRPV1
SCHEMBL26501631 0.83 PANK3 (0.77) PANK3TRPV1
SCHEMBL26502503 0.83 PANK3 (0.73) PANK3ALDH1A1TP53MAPTTHRB
SCHEMBL19748832 0.83 PANK3 (1.00) PANK3ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL19747977 0.83 PANK3 (1.00) PANK3

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-2025227071-A1 METHODS AND COMPOSITIONS FOR TREATING HEART FAILURE AND LIVER DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-10-30 WO claimed
WO-2025227071-A1 METHODS AND COMPOSITIONS FOR TREATING HEART FAILURE AND LIVER DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-10-30 WO disclosed