SCHEMBL27140283

SCHEMBL27140283

CCCCc1[nH]nc(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 7/20 0.41
▸ HCAR3 P49019 3/20 0.39
▸ PBRM1 Q86U86 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ GCGR P47871 6/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL27145389 0.89 PDE5A (0.34) HCAR2HCAR3GCGR
SCHEMBL27145396 0.86 HCAR2 (0.40) HCAR2HCAR3PBRM1FFAR1
SCHEMBL27146792 0.81 HCAR2 (0.36) HCAR2
SCHEMBL27143241 0.76 HCAR2 (0.43) HCAR2HCAR3PBRM1FFAR1
SCHEMBL27140273 0.76 CCNC (0.36) —
SCHEMBL27141935 0.76 HCAR2 (0.45) HCAR2HCAR3PBRM1HRH3
SCHEMBL27145272 0.75 HCAR2 (0.31) HCAR2
SCHEMBL27138813 0.74 HCAR2 (0.44) HCAR2HCAR3PBRM1
SCHEMBL27144214 0.74 HCAR2 (0.44) HCAR2HCAR3PBRM1
SCHEMBL27138851 0.68 DYRK1A (0.35) HCAR2HCAR3

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
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 — — EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 — — WO disclosed
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