Afalanine

Afalanine

SCHEMBL27419331

CC#N.CC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.69
CTSK P43235 1/20 0.69
MME P08473 4/20 0.59
PAM P19021 1/20 0.57
GNPAT O15228 1/20 0.56
TACR1 P25103 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
ACE P12821 2/20 0.54
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
LMNA P02545 1/20 0.53
CTRB1 P17538 3/20 0.53
NAALAD2 Q9Y3Q0 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
Afalanine SCHEMBL27419332 1.00 CTSS (0.69) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL5493802 0.94 CTSS (0.68) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL331330 0.92 CTSS (0.65) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL8587729 0.92 CTSS (0.65) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL158613 0.92 CTSS (0.65) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL158612 0.92 CTSS (0.65) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL8054567 0.90 CTSS (0.63) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL28376591 0.90 CTSS (0.63) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL11167745 0.90 CTSS (0.63) CTSSCTSKMMEPAMGNPAT
Afalanine SCHEMBL8054139 0.90 CTSS (0.63) CTSSCTSKMMEPAMGNPAT

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
CN-1446812-A Acid addition salts of optically active piperidine compounds and process for preparing the same UBE INDUSTRIES (JP) 2003-10-08 CN disclosed
CN-1098262-C Acid addition salts of optically active piperidine compounds and process for preparing the same UBE INDUSTRIES (JP) 2003-01-08 CN disclosed
CN-1242013-A Acid addition salts of optically active piperidine compounds and process for preparing the same UBE INDUSTRIES (JP) 2000-01-19 CN disclosed