SCHEMBL6977801

SCHEMBL6977801

COc1ccc(CCNC(=O)[C@@H](N)CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
TAAR1 Q96RJ0 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
FPR2 P25090 1/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
PLAAT3 P53816 1/20 0.52
PLAAT5 Q96KN8 1/20 0.52
PLAAT2 Q9NWW9 1/20 0.52
PLAAT4 Q9UL19 1/20 0.52
PTPN1 P18031 1/20 0.52

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
SCHEMBL11713117 1.00 SMN1; SMN2 (0.58) SMN1; SMN2TAAR1ALDH1A1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7943506 0.93 SMN1; SMN2 (0.51) SMN1; SMN2TAAR1ALDH1A1ITGB3ITGA2B
SCHEMBL17152386 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TAAR1ALDH1A1KMT2AGLA
SCHEMBL27139985 0.85 MTNR1A (0.54) ALDH1A1KMT2ARAB9A
SCHEMBL6962554 0.85 MTNR1A (0.54) ALDH1A1KMT2ARAB9A
SCHEMBL13073347 0.84 KMT2A (0.63) SMN1; SMN2TAAR1ALDH1A1KMT2AFPR2
SCHEMBL7943508 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TAAR1ALDH1A1KMT2AGLA
SCHEMBL9221733 0.83 MAPT (0.55) SMN1; SMN2TAAR1ALDH1A1KMT2AGLA
SCHEMBL11714142 0.83 HDAC8 (0.55) SMN1; SMN2NPC1GAARAB9APLAAT3
SCHEMBL24322367 0.83 POLB (0.54) ITGB3ITGA2BKMT2A

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
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed