SCHEMBL29411759

SCHEMBL29411759

Cc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.38
▸ ABCB11 O95342 3/20 0.38
▸ ABCC3 O15438 2/20 0.38
▸ ABCC4 O15439 2/20 0.38
▸ SLCO1B3 Q9NPD5 2/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ TGFBR1 P36897 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GABRA5 P31644 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
SCHEMBL19715757 1.00 SLCO1B1 (0.38) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24982985 0.90 SLCO1B1 (0.39) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29068133 0.88 SLCO1B1 (0.37) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL25422658 0.88 SLCO1B1 (0.37) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715601 0.88 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715862 0.87 SLCO1B1 (0.32) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL25231360 0.87 SLCO1B1 (0.35) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29411775 0.87 SLCO1B1 (0.32) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29068103 0.86 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30452478 0.86 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112189010-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2026-05-15 — — CN disclosed
EP-3986553-B1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2026-03-25 — — EP disclosed
EP-3986551-B1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-10-29 — — EP disclosed
EP-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 — — EP disclosed
CN-118359590-A Triazole compound 上海拓界生物医药科技有限公司 2024-07-19 — — CN disclosed
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
CN-117460721-A LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2024-01-26 — — CN disclosed
CN-112521368-B Triazole N-linked carbamoyl cyclohexyl acid as LPA antagonists 百时美施贵宝公司 2023-12-05 — — CN disclosed
WO-2023118253-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 — — WO 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
CN-114601830-A Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists 百时美施贵宝公司 2022-06-10 — — CN disclosed
CN-114599648-A Triazole carboxylic acids as LPA antagonists 百时美施贵宝公司 2022-06-07 — — CN disclosed
CN-114599641-A Cyclobutylcarboxylic acids as LPA antagonists 百时美施贵宝公司 2022-06-07 — — CN disclosed
EP-3986551-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
EP-3986553-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
CN-109963843-B Carbamoyloxymethyltriazolylcyclohexanes as LPA antagonists 百时美施贵宝公司 2022-03-11 — — CN disclosed
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