SCHEMBL7900307

SCHEMBL7900307

O=C1c2ccccc2C(=O)N1CCCCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 5/20 0.47
HTR1A P08908 2/20 0.46
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL8690834 1.00 SMN1; SMN2 (0.52) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8688303 1.00 SMN1; SMN2 (0.52) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
Trifluoromethanesulfonic Acid SCHEMBL9091822 0.95 SMN1; SMN2 (0.48) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL290900 0.88 RAB9A (0.50) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL14764990 0.81 TDP1 (0.53) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8269374 0.81 TDP1 (0.53) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL30881294 0.81 MAPT (0.47) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL9861151 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL21071153 0.80 MAPT (0.54) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL19133388 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 US disclosed
US-5817879-A PEPTIDE ANTAGONIST TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-10-06 US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 US disclosed
EP-0728007-A4 NON-PEPTIDE PEPTIDOMIMETICS UNIV PENNSYLVANIA (US) 1998-09-02 EP disclosed
WO-1997028172-A1 NON-PEPTIDE PEPTIDOMIMETICS AND RELATED CYCLIC HEXAPEPTIDES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-08-07 WO disclosed
US-5552534-A COMPOUNDS FOR CROSS REACTION WITH PEPTIDES FOR BINDING G PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-03 US disclosed
EP-0728007-A1 NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-08-28 EP disclosed
US-5550251-A CROSSREACTIVE WITH PEPTIDES BOUND BY G-PROTEIN LINKED RECEPTORS; USED AS THERAPEUTICAL, DIAGNOSTIC, AND PROPHYLITIC THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-08-27 US disclosed
WO-1995011686-A1 NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-05-04 WO disclosed
WO-1993017032-A1 TECHNIQUES AND INTERMEDIATES FOR PREPARING NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-09-02 WO disclosed