SCHEMBL30434278

SCHEMBL30434278

CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
DGAT1 O75907 2/20 0.38
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MC4R P32245 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PAICS P22234 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PRCP P42785 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL15647594 1.00 LTA4H (0.39) LTA4HDGAT1LPLLIPGHRH3
SCHEMBL21550453 0.89 HRH3 (0.43) DGAT1LPLLIPGHRH3USP30
SCHEMBL143358 0.87 HRH3 (0.45) DGAT1LPLLIPGHRH3
SCHEMBL30889384 0.86 DGAT1 (0.40) DGAT1LPLLIPGPAICSUSP30
SCHEMBL15648977 0.86 DGAT1 (0.40) DGAT1LPLLIPGPAICSUSP30
SCHEMBL22561593 0.85 DGAT1 (0.38) DGAT1LPLLIPGHRH3USP30
SCHEMBL17136271 0.84 DGAT1 (0.42) DGAT1HRH3KDM4EUSP30
SCHEMBL24092596 0.81 KDM4E (0.37) LTA4HLPLLIPGMC4RKDM4E
SCHEMBL34471611 0.80 DGAT1 (0.37) DGAT1LPLLIPGUSP30
SCHEMBL429722 0.79 LMNA (0.53) LPLLIPGMC4RKDM4ELMNA

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-4444714-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS Nanjing Zenshine Pharmaceuticals Co., Ltd. (CN) 2024-10-16 EP disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed