SCHEMBL9523700

SCHEMBL9523700

CC1OC2(c3ccc(Br)cc3)OCC1(C(C)(C)C)CO2

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL9521002 0.86 CHRNA1 (0.39)
SCHEMBL10761907 0.83
SCHEMBL9523563 0.81 TAAR1 (0.30) TAAR1
SCHEMBL9641504 0.76 KDM1A (0.33) TAAR1
SCHEMBL9669240 0.74 TAAR1 (0.37) TAAR1
SCHEMBL9521920 0.74 TAAR1 (0.31) TAAR1
SCHEMBL9523035 0.72 CHRM2 (0.31) TAAR1
SCHEMBL9523082 0.71 CNR1 (0.32)
SCHEMBL9523204 0.71 TAAR1 (0.31) TAAR1
SCHEMBL9209986 0.67 TAAR1 (0.34) 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