SCHEMBL5679386

SCHEMBL5679386

N[C@@H](CS)CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.63
ERAP1 Q9NZ08 2/20 0.48
ERAP2 Q6P179 1/20 0.48
EPHX1 P07099 1/20 0.48
LTA4H P09960 1/20 0.46
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
IDO1 P14902 1/20 0.42
ENPEP Q07075 1/20 0.42

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
SCHEMBL18725542 1.00 ANPEP (0.63) ANPEPERAP1ERAP2EPHX1LTA4H
Hydrochloric Acid SCHEMBL5681274 0.98 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1LTA4H
Hydrochloric Acid SCHEMBL5679099 0.98 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1LTA4H
Hydrochloric Acid SCHEMBL7613449 0.98 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1LTA4H
SCHEMBL5681048 0.88 ANPEP (0.59) ANPEPEPHX1HTR2AIDO1ENPEP
SCHEMBL5683047 0.88 ANPEP (0.59) ANPEPEPHX1HTR2AIDO1ENPEP
SCHEMBL4895850 0.86 EPHX1 (0.56) ANPEPERAP1ERAP2EPHX1CYP2A6
Hydrochloric Acid SCHEMBL7620586 0.86 ANPEP (0.57) ANPEPEPHX1HTR2AENPEP
Hydrochloric Acid SCHEMBL5683083 0.86 ANPEP (0.57) ANPEPEPHX1HTR2AENPEP
Hydrochloric Acid SCHEMBL5681070 0.86 ANPEP (0.57) ANPEPEPHX1HTR2AENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP disclosed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed