SCHEMBL25232876

SCHEMBL25232876

Cn1nnc(-c2ncc(O)c(C3CC3)n2)c1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30460030 1.00 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL25278645 0.88 KDM4C (0.35) KDM4CNPC1RAB9A
SCHEMBL25238670 0.88 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL30544898 0.88 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL25239936 0.88 GABRA5 (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL25278970 0.83 ABCB11 (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL25231360 0.81 SLCO1B1 (0.35) KDM4CNPC1RAB9A
SCHEMBL30460219 0.81 KDM4C (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30460092 0.80 NPC1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL25235641 0.80 SLCO1B1 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 — — CN disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 — — WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 — — WO disclosed
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