SCHEMBL11224094

SCHEMBL11224094

CSCC[C@H](NCc1ccccc1N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.54
▸ FNTB P49356 2/20 0.54
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ ANPEP P15144 1/20 0.43

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
SCHEMBL11234887 1.00 FNTA (0.54) FNTAFNTBGAATSHRCA2
SCHEMBL11418812 0.87 FNTA (0.42) FNTAFNTBGAATSHRALDH1A1
SCHEMBL11230204 0.87 FNTA (0.42) FNTAFNTBGAATSHRALDH1A1
SCHEMBL6854216 0.84 FNTA (0.47) FNTAFNTBGAATSHRCA2
Hydrochloric Acid SCHEMBL6853556 0.83 FNTA (0.47) FNTAFNTBGAATSHRCA2
SCHEMBL11237044 0.82 NPSR1 (0.51) FNTAFNTBGAATSHRCA2
SCHEMBL11425399 0.82 NPSR1 (0.51) FNTAFNTBGAATSHRCA2
SCHEMBL526076 0.81 ANPEP (0.58) FNTAFNTBGAAALDH1A1NPSR1
SCHEMBL526077 0.81 ANPEP (0.58) FNTAFNTBGAAALDH1A1NPSR1
SCHEMBL5270971 0.81 FNTA (0.47) FNTAFNTBGAACA2CA1

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-4185114-A ANTISECRETORY AND MUCOLYTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-01-22 — — US claimed
US-4363766-A Process for the preparation of sulfur-containing N-benzyl-amino acids and esters BOEHRINGER INGELHEIM GMBH (DE) 1982-12-14 — — US disclosed
US-4185114-A ANTISECRETORY AND MUCOLYTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-01-22 — — US disclosed
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