SCHEMBL1342863

SCHEMBL1342863

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.74
▸ MAPT P10636 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ LMNA P02545 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ TSHR P16473 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ PMP22 Q01453 2/20 0.70
▸ MPO P05164 1/20 0.70
▸ HIF1A Q16665 1/20 0.70
▸ HTR2A P28223 3/20 0.56
▸ HTR1A P08908 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ HTR2B P41595 2/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56

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
SCHEMBL8025702 0.91 TACR1 (0.77) TACR1MAPTKMT2AKDM4ELMNA
SCHEMBL31119836 0.91 TACR1 (0.77) TACR1MAPTKMT2AKDM4ELMNA
SCHEMBL1167914 0.91 TACR1 (0.77) TACR1MAPTKMT2AKDM4ELMNA
SCHEMBL1167913 0.91 TACR1 (0.77) TACR1MAPTKMT2AKDM4ELMNA
SCHEMBL23723484 0.90 MAPT (0.76) TACR1MAPTKMT2AKDM4ELMNA
SCHEMBL29472033 0.90 MAPT (0.76) TACR1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL29401116 0.90 TACR1 (0.75) TACR1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL4685036 0.90 TACR1 (0.75) TACR1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL3950971 0.90 TACR1 (0.75) TACR1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL29401056 0.90 TACR1 (0.75) TACR1MAPTKMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062899-B1 Identification and quantitative determination of major chemical contaminants associated with L-Tryptophan NHK Laboratories, Inc. (US) 2011-11-22 — — US disclosed
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 — — EP disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 — — EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 — — EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 — — EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 — — WO disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 — — WO disclosed
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