SCHEMBL8649840

SCHEMBL8649840

CC(=O)CCc1ncc[nH]1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
FDPS P14324 1/20 0.46
TERT O14746 1/20 0.44
TAAR1 Q96RJ0 8/20 0.41
HTR1A P08908 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.38
FPR2 P25090 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9373261 0.86 TBXAS1 (0.73) TBXAS1FDPSTERTTAAR1HTR1A
SCHEMBL6448262 0.82 TBXAS1 (0.59) TBXAS1FDPSTERTTAAR1HTR1A
SCHEMBL30620153 0.82 TBXAS1 (0.74) TBXAS1FDPSTERTTAAR1HTR1A
SCHEMBL434767 0.82 TBXAS1 (0.74) TBXAS1FDPSTERTTAAR1HTR1A
Hydrochloric Acid SCHEMBL8937731 0.81 TBXAS1 (0.75) TBXAS1FDPSTERTTAAR1ALOX15
SCHEMBL28382679 0.81 TBXAS1 (0.57) TBXAS1FDPSTERTTAAR1HTR1A
Bromide SCHEMBL28875643 0.81 TBXAS1 (0.72) TBXAS1FDPSTERTTAAR1HTR1A
Hydrochloric Acid SCHEMBL28313785 0.81 TBXAS1 (0.72) TBXAS1FDPSTERTTAAR1HTR1A
SCHEMBL2787115 0.81 TBXAS1 (0.57) TBXAS1FDPSTERTTAAR1HTR1A
Hydrochloric Acid SCHEMBL11095352 0.81 TBXAS1 (0.75) TBXAS1FDPSTERTTAAR1ALOX15

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
WO-2019046937-A1 TRI-MODAL NUCLEIC ACID DELIVERY SYSTEMS RAFIEE AMIRREZA (CA) 2019-03-14 WO disclosed
US-20150315137-A1 System and Method for Fluoroalkylated Fluorophthalocyanines With Aggregating Properties and Catalytic Driven Pathway for Oxidizing Thiols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2015-11-05 US disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
EP-0862433-A1 TOPICAL FOAMABLE PHARMACEUTICAL COMPOSITION FOR TREATING SKIN DISEASES INDUCED BY OVAL PITYROSPORUM PIERRE FABRE MEDICAMENT (FR) 1998-09-09 EP disclosed
WO-1997017075-A1 TOPICAL FOAMABLE PHARMACEUTICAL COMPOSITION FOR TREATING SKIN DISEASES INDUCED BY OVAL PITYROSPORUM PIERRE FABRE MEDICAMENT (FR) 1997-05-15 WO disclosed
EP-0111384-A1 Thioketal substituted N-alkyl imidazoles and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1984-06-20 EP disclosed