SCHEMBL31195079

SCHEMBL31195079

COCC1CC(CO)C(C(=O)O)C(c2ccc(Br)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 10/20 0.41
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A2 P23975 4/20 0.40
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36

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
SCHEMBL31195032 1.00 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2HDAC8HDAC6
SCHEMBL31195093 0.84 FABP7 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL31195021 0.84 FABP7 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL31195001 0.80 HTR2C (0.44) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31195069 0.80 HTR2C (0.44) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31195045 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31195044 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31195053 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL32662704 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B
SCHEMBL31335161 0.79 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719605-A1 CHEMICAL COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.4) Limited (GB) 2026-04-08 — — EP disclosed
WO-2024246863-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-12-05 — — WO disclosed
WO-2024246862-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 4) LIMITED (GB) 2024-12-05 — — WO disclosed
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