Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3267697

CCOC(=O)N1CCC(c2ccccc2Sc2ccc(C)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
RBP4 P02753 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL1741754 0.93 L3MBTL1 (0.49) BRD4ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3200239 0.82 GPR119 (0.52) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL2474336 0.81 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13349784 0.76 GPR119 (0.53) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL3537491 0.76 TRPV1 (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1742452 0.76 BRD4 (0.50) BRD4ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL3540342 0.73 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1741730 0.72 L3MBTL1 (0.53) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL4705226 0.72 GAA (0.58) BRD4ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL7666242 0.72 SMN1; SMN2 (0.56) MEN1KMT2ARBP4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139479-A2 4-[2-(4-METHYLPHENYLSULFANYL)PHENYL]PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF ADHD, MELANCHOLIA, TREATMENT RESISTENT DEPRESSION OR RESIDUAL SYMPTOMS IN DEPRESSION H. Lundbeck A/S (DK) 2010-01-06 EP disclosed
WO-2008113360-A2 4- [2- (4-METHYLPHENYLSULFANYD-PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF ADHD, MELANCHOLIA, TREATMENT RESISTENT DEPRESSION OR RESIDUAL SYMPTOMS IN DEPRESSION H. LUNDBECK A/S (DK) 2008-09-25 WO disclosed