SCHEMBL31037333

SCHEMBL31037333

CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3C#Cc3ccc(C(=O)NCCN4CCCCC4)cc3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ SMYD2 Q9NRG4 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL31037341 0.91 USP30 (0.40) DRD2USP30ACACBBRD4CD274
SCHEMBL31037465 0.91 POLB (0.38) DRD2POLBSMYD2IKBKBERN1
SCHEMBL31037276 0.86 CD274 (0.41) DRD2USP30ACACBBRD4CD274
SCHEMBL31037304 0.83 ALDH1A1 (0.43) DRD2CD274POLBALDH1A1LMNA
SCHEMBL31037270 0.82 NAMPT (0.36) ACACBCD274PADI4
SCHEMBL31037252 0.77 HDAC3 (0.47) DRD2USP30BRD4ALDH1A1PARP1
SCHEMBL31037399 0.77 USP30 (0.43) DRD2USP30BRD4ALDH1A1PARP1
SCHEMBL31037320 0.74 MAPT (0.47) POLBIKBKBALDH1A1LMNAL3MBTL1
SCHEMBL31037240 0.74 ACKR3 (0.43) CD274POLBALDH1A1LMNAPKM
SCHEMBL31037261 0.73 MAP4K4 (0.41) DRD2CD274POLBALDH1A1L3MBTL1

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-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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