SCHEMBL7900384

SCHEMBL7900384

N#CC(CCC(F)(F)F)N[C@H](N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.39
CTSC P53634 6/20 0.35
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSB P07858 2/20 0.32
CTSF Q9UBX1 2/20 0.32
ANPEP P15144 1/20 0.31

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
SCHEMBL10069163 0.82 SIGMAR1 (0.41) CTSLCTSSCTSK
SCHEMBL12810249 0.82 SIGMAR1 (0.41) CTSLCTSSCTSK
SCHEMBL310670 0.82 SIGMAR1 (0.41) CTSLCTSSCTSK
SCHEMBL1688364 0.72 SIGMAR1 (0.39) CTSLCTSCTSHR
SCHEMBL375592 0.70 DRD2 (0.42) CTSLCTSCTSHR
SCHEMBL12574579 0.69 TACR1 (0.47)
SCHEMBL12261606 0.69 TACR1 (0.47)
SCHEMBL8419059 0.68 SIGMAR1 (0.42) CTSLCTSSCTSKCTSBCTSF
SCHEMBL16900469 0.68 DPP4 (0.55) TSHR
Hydrochloric Acid SCHEMBL22229344 0.68 TACR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107997-A1 THIOPHENYL SULFONAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed