SCHEMBL30452299

SCHEMBL30452299

Cn1nnc(-c2ccc(Br)c(C#N)n2)c1COC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.31
▸ SLCO1B1 Q9Y6L6 3/20 0.30
▸ ABCC3 O15438 2/20 0.30
▸ ABCC4 O15439 2/20 0.30
▸ SLCO1B3 Q9NPD5 2/20 0.30
▸ ABCB11 O95342 2/20 0.30
▸ LPAR1 Q92633 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30
▸ CHEK1 O14757 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
SCHEMBL19715601 0.87 SLCO1B1 (0.36) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL29922208 0.85 SLCO1B1 (0.33) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL27157558 0.85 SLCO1B1 (0.33) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL29068035 0.84 SLCO1B1 (0.32) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL30452885 0.84 SLCO1B1 (0.32) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL30454078 0.83 SLCO1B1 (0.32) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL24982985 0.81 SLCO1B1 (0.39) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL19715663 0.80 MIF (0.31) KDM4CSLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL19715802 0.80 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29411804 0.80 SLCO1B1 (0.39) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11

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 2 patents. 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
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 — — EP disclosed
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