SCHEMBL29853433

SCHEMBL29853433

COc1ccc2c(c1)CN(C)Cc1cc(OC)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 6/20 0.54
▸ DRD5 P21918 5/20 0.54
▸ RYR2 Q92736 1/20 0.54
▸ DRD2 P14416 4/20 0.53
▸ DRD3 P35462 4/20 0.53
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ SLC6A3 Q01959 4/20 0.49
▸ DRD4 P21917 2/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ BCL2 P10415 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ MPO P05164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL26767768 1.00 DRD1 (0.54) DRD1DRD5RYR2DRD2DRD3
SCHEMBL4310710 0.88 L3MBTL1 (0.49) DRD1DRD5RYR2DRD2DRD3
SCHEMBL3902560 0.86 DRD1 (0.65) DRD1DRD5RYR2DRD2DRD3
SCHEMBL26768689 0.79 METAP1 (0.44) DRD1DRD5RYR2DRD2DRD3
SCHEMBL30777630 0.79 METAP1 (0.63) DRD1DRD5DRD2DRD3DRD4
SCHEMBL17108416 0.79 MPO (0.59) METAP1BCL2MPOKDM4E
SCHEMBL4581239 0.79 METAP1 (0.63) DRD1DRD5DRD2DRD3DRD4
SCHEMBL8222715 0.78 METAP1 (0.50) DRD1DRD5DRD2DRD3METAP1
SCHEMBL30021259 0.78 METAP1 (0.50) DRD1DRD5DRD2DRD3METAP1
SCHEMBL29853715 0.78 METAP1 (0.46) DRD1DRD5DRD2DRD3METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712958-A2 USE OF UROLITHIN DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Vandria SA (CH) 2026-03-25 — — EP disclosed
EP-4561556-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES Vandria SA (CH) 2025-06-04 — — EP disclosed
CN-119947717-A Therapeutic use of urolithin derivatives 范徳利亚股份公司 2025-05-06 — — CN disclosed
WO-2024236367-A2 USE OF UROLITHIN DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS VANDRIA SA (CH) 2024-11-21 — — WO disclosed
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 — — WO disclosed
EP-4284781-A1 UROLITHIN DERIVATIVES AND METHODS OF USE THEREOF Vandria SA (CH) 2023-12-06 — — EP disclosed
CN-117015530-A Urolithin derivatives and methods of use thereof 范徳利亚股份公司 2023-11-07 — — CN disclosed
WO-2022162471-A1 UROLITHIN DERIVATIVES AND METHODS OF USE THEREOF VANDRIA SA (CH) 2022-08-04 — — WO disclosed
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