SCHEMBL6496331

SCHEMBL6496331

CC(NC(=O)C1CCN(C(=O)C=Cc2ccc(Br)cc2F)CC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
GPR183 P32249 6/20 0.51
CAPN1 P07384 4/20 0.44
C3AR1 Q16581 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.36

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
SCHEMBL6496329 1.00 SMN1; SMN2 (0.55) SMN1; SMN2GPR183CAPN1C3AR1ITGB2
SCHEMBL6500473 0.92 SMN1; SMN2 (0.66) SMN1; SMN2GPR183CAPN1C3AR1ITGB2
SCHEMBL6500476 0.92 SMN1; SMN2 (0.66) SMN1; SMN2GPR183CAPN1C3AR1ITGB2
SCHEMBL6504616 0.85 CAPN1 (0.46) SMN1; SMN2CAPN1C3AR1ITGB2ICAM1
SCHEMBL6504618 0.85 CAPN1 (0.46) SMN1; SMN2CAPN1C3AR1ITGB2ICAM1
SCHEMBL6504799 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CAPN1ITGB2ICAM1ITGAL
SCHEMBL6504800 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CAPN1ITGB2ICAM1ITGAL
SCHEMBL6499373 0.83 CAPN1 (0.48) SMN1; SMN2GPR183CAPN1ITGB2ICAM1
SCHEMBL6495771 0.83 ITGAL (0.49) SMN1; SMN2GPR183CAPN1C3AR1ITGB2
SCHEMBL6495775 0.83 ITGAL (0.49) SMN1; SMN2GPR183CAPN1C3AR1ITGB2

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 1 patent. 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 disclosed