SCHEMBL6495203

SCHEMBL6495203

CC(NC(=O)C1CCN(C(=O)/C=C/c2ccc(N(C)C)c(Cl)c2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ITGAL P20701 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR183 P32249 2/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL8296935 1.00 CAPN1 (0.49) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6495207 1.00 CAPN1 (0.49) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498794 0.91 CAPN1 (0.49) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498797 0.91 CAPN1 (0.49) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL8298766 0.86 CAPN1 (0.47) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498130 0.86 CAPN1 (0.47) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498135 0.86 CAPN1 (0.47) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498627 0.85 ITGB2 (0.51) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6498635 0.85 ITGB2 (0.51) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL8296927 0.85 ITGB2 (0.51) CAPN1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed