SCHEMBL30460219

SCHEMBL30460219

Cn1nnc(-c2nccc(C3CC3)n2)c1COC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXRA P19793 3/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TGFBR1 P36897 2/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ PIM1 P11309 3/20 0.30
▸ PIM2 Q9P1W9 3/20 0.30
▸ PIM3 Q86V86 2/20 0.30
▸ TNK2 Q07912 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
SCHEMBL25232876 0.81 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30460030 0.81 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30544898 0.80 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL25238670 0.80 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL30740368 0.80 TGFBR1 (0.44) KDM4CNPC1RAB9AL3MBTL1TGFBR1
SCHEMBL25239936 0.78 GABRA5 (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30460092 0.78 NPC1 (0.41) KDM4CNPC1RAB9ARXRAGRIN1
SCHEMBL25278645 0.77 KDM4C (0.35) KDM4CNPC1RAB9ACREBBP
SCHEMBL25278970 0.77 ABCB11 (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL22806839 0.77 SLCO1B1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A

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
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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