SCHEMBL12810249

SCHEMBL12810249

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CTSL P07711 7/20 0.40
CYP3A4 P08684 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
CASR P41180 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL310670 1.00 SIGMAR1 (0.41) SIGMAR1CTSLCYP3A4CHRM2HTR1A
SCHEMBL10069163 1.00 SIGMAR1 (0.41) SIGMAR1CTSLCYP3A4CHRM2HTR1A
SCHEMBL8419059 0.86 SIGMAR1 (0.42) SIGMAR1CTSLCYP3A4CHRM2HTR1A
SCHEMBL7900384 0.82 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL24298107 0.79 SIGMAR1 (0.40) SIGMAR1CTSLCHRM2HTR1AADRA2A
SCHEMBL26829207 0.79 SIGMAR1 (0.40) SIGMAR1CTSLCHRM2HTR1AADRA2A
SCHEMBL24298108 0.79 SIGMAR1 (0.40) SIGMAR1CTSLCHRM2HTR1AADRA2A
SCHEMBL25767154 0.79 SIGMAR1 (0.47) SIGMAR1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL24298254 0.76 CTSL (0.39) SIGMAR1CTSLMEN1KMT2ACTSS
SCHEMBL26127160 0.76 CTSL (0.39) SIGMAR1CTSLMEN1KMT2ACTSS

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
EP-2205575-B1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2011-03-16 EP disclosed