SCHEMBL25870439

SCHEMBL25870439

CC(C)CC(=O)N1CCC2(CC1)CCN(C(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27381769 0.91 POLB (0.55) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL25870353 0.88 POLB (0.46) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL23551265 0.88 HRH3 (0.43) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL10121272 0.83 POLB (0.59) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL27381767 0.81 CYP2D6 (0.65) POLBL3MBTL1NPSR1ALDH1A1CYP2D6
SCHEMBL25870493 0.81 POLB (0.50) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL25870730 0.79 POLB (0.47) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL25876507 0.79 POLB (0.44) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL15125407 0.79 OPRM1 (0.57) POLBL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL25870580 0.79 CYP2D6 (0.54) ALDH1A1CYP2D6CYP3A4USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed