SCHEMBL27113705

SCHEMBL27113705

C=CCCC(C(=O)NC)N1CCc2ccc(CCCCCCCN)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.33
▸ MMP3 P08254 3/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ MOGAT2 Q3SYC2 2/20 0.32
▸ FAAH O00519 2/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ MC3R P41968 1/20 0.30

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
SCHEMBL25997931 0.81 KRAS (0.36) DPP9
SCHEMBL27120419 0.81 S1PR1 (0.31) S1PR1
SCHEMBL27122248 0.76 HRH3 (0.40) —
SCHEMBL25986948 0.75 NPC1 (0.31) —
SCHEMBL26003508 0.72 AKR1C3 (0.35) DPP9
SCHEMBL25938420 0.72 BTK (0.33) —
SCHEMBL25988966 0.72 MEN1 (0.39) MOGAT2
SCHEMBL27119016 0.71 S1PR1 (0.31) S1PR1FAAH
SCHEMBL27119471 0.71 SIGMAR1 (0.33) S1PR1
SCHEMBL26022857 0.70 KRAS (0.33) DPP9

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
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 — — EP disclosed
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