SCHEMBL29922208

SCHEMBL29922208

CCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 3/20 0.33
▸ ABCC3 O15438 2/20 0.33
▸ ABCC4 O15439 2/20 0.33
▸ SLCO1B3 Q9NPD5 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ ABCB11 O95342 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE8B O95263 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
SCHEMBL27157558 1.00 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL30821872 0.94 ABCC3 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29180491 0.89 PDE8B (0.33) TGFBR1TGFBR2ADORA3KDM4CNPC1
SCHEMBL30740284 0.89 PDE8B (0.33) TGFBR1TGFBR2ADORA3KDM4CNPC1
SCHEMBL29067956 0.89 SLCO1B1 (0.33) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL19715601 0.88 SLCO1B1 (0.36) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL19715663 0.88 MIF (0.31) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL29068035 0.86 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL30452885 0.86 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1
SCHEMBL30454078 0.85 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751106-A Novel triazole-pyridine substituted pyrrolidinyl and tetrahydro-2H-pyranylacetic acid compounds as LPA antagonists 唯久生物技术(苏州)有限公司 2024-03-22 — — CN disclosed
EP-4330249-A1 NOVEL TRIAZOLE-PYRIDINE SUBSTITUTED PYRROLIDINYL AND TETRAHYDRO-2H-PYRANYL ACETIC ACID COMPOUNDS AS LPA ANTAGONISTS Viva Star Biosciences (Suzhou) Co., Ltd. (CN) 2024-03-06 — — EP disclosed
WO-2024022314-A1 TRIAZOLE COMPOUNDS AND USE THEREOF AS LPAR1 ANTAGONIST 武汉人福创新药物研发中心有限公司 2024-02-01 — — WO disclosed
CN-117447450-A Triazole compounds and their use as LPAR1 antagonists 武汉人福创新药物研发中心有限公司 2024-01-26 — — CN disclosed
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
WO-2022232459-A1 NOVEL TRIAZOLE-PYRIDINE SUBSTITUTED PYRROLIDINYL AND TETRAHYDRO-2H-PYRANYL ACETIC ACID COMPOUNDS AS LPA ANTAGONISTS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-11-03 — — WO disclosed
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