SCHEMBL29067845

SCHEMBL29067845

Cn1nnc(-c2ccc(Br)cn2)c1COC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TGFBR1 P36897 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GABRA5 P31644 1/20 0.30
▸ TGFBR2 P37173 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
SCHEMBL22806839 0.89 SLCO1B1 (0.41) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19728935 0.87 ABCB11 (0.34) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL21058053 0.85 LPAR1 (0.40) SLCO1B1KDM4CNPC1RAB9AL3MBTL1
SCHEMBL30740368 0.83 TGFBR1 (0.44) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715601 0.83 SLCO1B1 (0.36) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL23671228 0.82 ABCB11 (0.35) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715620 0.82 DGAT1 (0.38) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL19715615 0.82 SLCO1B1 (0.38) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL29922208 0.81 SLCO1B1 (0.33) ABCB11SLCO1B1KDM4CNPC1RAB9A
SCHEMBL27157558 0.81 SLCO1B1 (0.33) ABCB11SLCO1B1KDM4CNPC1RAB9A

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
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 — — CN disclosed
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