SCHEMBL30283883

SCHEMBL30283883

O=C(C(O)c1cccc(Oc2ccccc2)c1)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 8/20 0.40
▸ MGLL Q99685 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL23973519 1.00 MTHFD2 (0.40) MTHFD2MGLLROCK2CYP3A4PTGS1
SCHEMBL23972424 0.95 MTHFD2 (0.37) MTHFD2MGLL
SCHEMBL30284061 0.95 MTHFD2 (0.37) MTHFD2MGLL
SCHEMBL23973118 0.94 MTHFD2 (0.38) MTHFD2MGLLROCK2CYP3A4
SCHEMBL30284373 0.94 MTHFD2 (0.38) MTHFD2MGLLROCK2CYP3A4
SCHEMBL23973742 0.93 MTHFD2 (0.39) MTHFD2
SCHEMBL30283965 0.93 MTHFD2 (0.39) MTHFD2
SCHEMBL34464126 0.93 MGLL (0.40) MTHFD2MGLL
SCHEMBL23972680 0.93 MGLL (0.40) MTHFD2MGLL
SCHEMBL23972795 0.93 MTHFD2 (0.41) MTHFD2MGLLROCK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 — — EP claimed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 — — CN claimed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 — — CN disclosed
CN-115776890-A TRPV4 inhibitors as therapeutic agents for eye diseases 拉夸里亚创药株式会社 2023-03-10 — — CN disclosed
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