SCHEMBL9004030

SCHEMBL9004030

FC(F)(F)C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
BLM P54132 2/20 0.42
TSHR P16473 2/20 0.42
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL29586309 0.88 IDO1 (0.46) IDO1
SCHEMBL543414 0.88 IDO1 (0.46) IDO1
SCHEMBL4847731 0.81 IDO1 (0.42) IDO1BLMADRA2AADRA1ACYP2D6
SCHEMBL20706323 0.81 IDO1 (0.49) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL297121 0.79 IDO1 (0.41) IDO1BLMADRA2AADRA1ACYP2D6
SCHEMBL22808450 0.78 IDO1 (0.50) IDO1LMNAHTTALDH1A1
SCHEMBL14815564 0.78 IDO1 (0.46) IDO1LMNAHTTALDH1A1
SCHEMBL10836441 0.77 IDO1 (0.45) IDO1BLMTSHRHTTALDH1A1
SCHEMBL30276343 0.76 HTT (0.51) TSHRLMNAHTTALDH1A1MEN1
SCHEMBL11141197 0.75 PNMT (0.42) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414686-B1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES LABORATOIRES LUCIEN (FR) 1993-09-22 EP claimed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-5490986-A SYNTHETIC BLOOD TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-02-13 US disclosed
US-5284663-A Artificial blood substitute; Lewis acid-Lewis base salt with perfluorocarbon encapsulated therein TEMPLE UNIVERSITY (US) 1994-02-08 US disclosed
WO-1993001806-A1 ENCAPSULATED PERFLUOROCARBONS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1993-02-04 WO disclosed