SCHEMBL30361690

SCHEMBL30361690

CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](N[S@+]([O-])C(C)(C)C)c1ccccc1C21CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ STS P08842 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL21940603 0.87 KDM1A (0.43) GPR119PDK2TSHRALOX15ATM
SCHEMBL21940363 0.87 KDM1A (0.43) GPR119PDK2TSHRALOX15ATM
SCHEMBL21397495 0.79 ATM (0.41) GPR119TSHRALOX15ATMKDM1A
SCHEMBL22440518 0.79 ATM (0.41) GPR119TSHRALOX15ATMKDM1A
SCHEMBL22054837 0.79 ATM (0.41) GPR119TSHRALOX15ATMKDM1A
SCHEMBL23046236 0.79 IDO1 (0.46) GPR119TSHRALOX15ATMHDAC1
SCHEMBL23046109 0.79 KDM4E (0.40) GPR119TSHRALOX15ATMHDAC1
SCHEMBL23902047 0.79 ATM (0.41) GPR119TSHRALOX15ATMKDM1A
SCHEMBL23500668 0.79 IDO1 (0.46) GPR119TSHRALOX15ATMHDAC1
SCHEMBL30987345 0.79 IDO1 (0.46) GPR119TSHRALOX15ATMHDAC1

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
CN-115916765-B Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-18 — — CN disclosed
CN-115916765-A Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2023-04-04 — — CN disclosed
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