SCHEMBL9685380

SCHEMBL9685380

C[C@@H](N)CCc1ccc(C(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 3/20 0.38
PLAU P00749 1/20 0.36
PRSS1 P07477 4/20 0.36
TMPRSS15 P98073 4/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX2 P34913 1/20 0.34
GABRP O00591 2/20 0.33

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
SCHEMBL9684157 1.00 F2 (0.43) F2POLBTDP1ALDH1A1LMNA
SCHEMBL10728124 0.87 ALDH1A1 (0.53) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL9684860 0.87 ALDH1A1 (0.53) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL9684856 0.87 ALDH1A1 (0.53) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL9683315 0.83 ALDH1A1 (0.46) F2ALDH1A1HPGDPLAUPRSS1
SCHEMBL9683316 0.83 ALDH1A1 (0.46) F2ALDH1A1HPGDPLAUPRSS1
SCHEMBL10725526 0.83 MRGPRX4 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725537 0.83 MRGPRX4 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725518 0.83 MRGPRX4 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685368 0.79 ALDH1A1 (0.40) POLBTDP1ALDH1A1LMNAPRNP

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 3 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