SCHEMBL9683316

SCHEMBL9683316

C[C@@H](N)Cc1ccc(C(N)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 9/20 0.43
TMPRSS15 P98073 9/20 0.43
PLAU P00749 1/20 0.38
IKBKB O14920 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL9683315 1.00 ALDH1A1 (0.46) ALDH1A1HPGDF2PRSS1TMPRSS15
SCHEMBL10130610 0.87 ALDH1A1 (0.59) ALDH1A1HPGDF2PRSS1TMPRSS15
SCHEMBL10731118 0.86 ALDH1A1 (0.47) ALDH1A1HPGDPRSS1TMPRSS15HTT
SCHEMBL10731111 0.86 ALDH1A1 (0.47) ALDH1A1HPGDPRSS1TMPRSS15HTT
SCHEMBL9684157 0.83 F2 (0.43) ALDH1A1HPGDF2PRSS1TMPRSS15
SCHEMBL9685380 0.83 F2 (0.43) ALDH1A1HPGDF2PRSS1TMPRSS15
SCHEMBL27329284 0.82 F2 (0.46) ALDH1A1HPGDF2PRSS1TMPRSS15
SCHEMBL29169158 0.81 NPSR1 (0.46) ALDH1A1HPGDPRSS1TMPRSS15
SCHEMBL10725715 0.78 ALDH1A1 (0.43) ALDH1A1HPGDPRSS1TMPRSS15HTT
SCHEMBL7436196 0.78 ALDH1A1 (0.43) ALDH1A1HPGDPRSS1TMPRSS15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed