SCHEMBL9523563

SCHEMBL9523563

CCC1OC2(c3ccc(Br)cc3)OCC1(C(C)(C)C)CO2

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 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
SCHEMBL9523700 0.81 TAAR1 (0.32) TAAR1
SCHEMBL9640619 0.78 TAAR1 (0.30) TAAR1
SCHEMBL9523156 0.78 TAAR1 (0.30) TAAR1
SCHEMBL9669240 0.71 TAAR1 (0.37) TAAR1
SCHEMBL9642014 0.70 BACE1 (0.33)
SCHEMBL9641504 0.70 KDM1A (0.33) TAAR1
SCHEMBL9641465 0.69
SCHEMBL9521002 0.68 CHRNA1 (0.39)
SCHEMBL9521920 0.68 TAAR1 (0.31) TAAR1
SCHEMBL17465563 0.67 TAAR1 (0.37) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP claimed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP claimed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed