SCHEMBL9209986

SCHEMBL9209986

CC(C)(C)CC12COC(c3ccc(Br)cc3)(OC1)OC2

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL9207364 0.83
SCHEMBL17465563 0.81 TAAR1 (0.37) TAAR1
SCHEMBL9207546 0.80 GABRP (0.31)
SCHEMBL9669240 0.77 TAAR1 (0.37) TAAR1
SCHEMBL9734723 0.73 CYP3A4 (0.33)
SCHEMBL9523563 0.67 TAAR1 (0.30) TAAR1
SCHEMBL9523700 0.67 TAAR1 (0.32) TAAR1
SCHEMBL3987895 0.66 TAAR1 (0.35) TAAR1
SCHEMBL3209284 0.64 TAAR1 (0.47) TAAR1
SCHEMBL14142801 0.64 TAAR1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP disclosed
US-5371075-A Pesticides ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
US-5157029-A Insecticides, miticides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-10-20 US disclosed
US-5057508-A Bicyclo(2-2-1)octanes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-15 US disclosed
US-4965257-A INSECTICIDES, ACARICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-10-23 US disclosed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP disclosed