SCHEMBL5679384

SCHEMBL5679384

N[C@@H](CS)CCCCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.57
S1PR2 O95136 1/20 0.55
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
ENPEP Q07075 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
Hydrochloric Acid SCHEMBL5679014 0.98 ANPEP (0.55) ANPEPS1PR2S1PR4S1PR1S1PR3
SCHEMBL5681075 0.98 S1PR2 (0.58) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL7617519 0.98 ANPEP (0.55) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL5680818 0.98 ANPEP (0.55) ANPEPS1PR2S1PR4S1PR1S1PR3
SCHEMBL5681630 0.98 S1PR2 (0.58) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL5683006 0.96 S1PR2 (0.56) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL5681163 0.96 S1PR2 (0.56) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL7622011 0.96 S1PR2 (0.56) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL5681170 0.96 S1PR2 (0.56) ANPEPS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL7620762 0.96 S1PR2 (0.56) ANPEPS1PR2S1PR4S1PR1S1PR3

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