SCHEMBL7362116

SCHEMBL7362116

NC(CCC=S)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
ENPEP Q07075 6/20 0.34
ANPEP P15144 3/20 0.34
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32

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
SCHEMBL1225888 0.80 S1PR2 (0.38) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL29953835 0.78 SLC6A2 (0.42) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL29956660 0.78 SLC6A2 (0.42) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL3264929 0.78 SLC6A2 (0.42) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL6664634 0.76 ENPEP (0.46) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL6666416 0.76 ENPEP (0.46) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL28799207 0.75 SLC22A6 (0.47) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL6371658 0.75 GABRP (0.39) S1PR2S1PR1ENPEPANPEPSLC6A2
SCHEMBL28990971 0.75 CYP2D6 (0.48) S1PR2S1PR1ENPEPANPEPGABRR1
SCHEMBL28202300 0.75 GABRP (0.39) S1PR2S1PR1ENPEPANPEPSLC6A2

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-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed