SCHEMBL3716645

SCHEMBL3716645

[CH2]CCc1ccc(CF)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.33
GFER P55789 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL2745550 0.85 GFER (0.42) TAAR1GFERESR1ESR2
SCHEMBL9552515 0.82 GFER (0.47) TAAR1GFERESR1ESR2
SCHEMBL1338455 0.78 HRH3 (0.35) TAAR1GFERESR1ESR2
SCHEMBL656449 0.78 TAAR1 (0.56) TAAR1
SCHEMBL15553460 0.74 GFER (0.35) GFERESR1ESR2
SCHEMBL839424 0.72 TAAR1 (0.56) TAAR1
SCHEMBL7525993 0.72 HRH3 (0.52) TAAR1GFER
SCHEMBL21540700 0.72 TAAR1 (0.64) TAAR1
SCHEMBL1610768 0.72 LPL (0.50) TAAR1ESR1
SCHEMBL5537656 0.72 MAOB (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed