SCHEMBL30821872

SCHEMBL30821872

CCc1nc(-c2nnn(C)c2COC2CCO2)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABCC3 O15438 2/20 0.33
▸ ABCC4 O15439 2/20 0.33
▸ SLCO1B3 Q9NPD5 2/20 0.33
▸ SLCO1B1 Q9Y6L6 2/20 0.33
▸ ABCB11 O95342 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31

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
SCHEMBL29922208 0.94 SLCO1B1 (0.33) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL30740284 0.82 PDE8B (0.33) —
SCHEMBL29180491 0.82 PDE8B (0.33) —
SCHEMBL29067956 0.82 SLCO1B1 (0.33) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL19715601 0.82 SLCO1B1 (0.36) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL19715663 0.81 MIF (0.31) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL29068035 0.79 SLCO1B1 (0.32) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL30452885 0.79 SLCO1B1 (0.32) ABCC3ABCC4SLCO1B3SLCO1B1ABCB11
SCHEMBL30453031 0.78 GRM2 (0.30) —
SCHEMBL30453030 0.78 GRM2 (0.30) —

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-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
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