SCHEMBL6677053

SCHEMBL6677053

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(OCCc3cccc(N)n3)cc2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.44
ITGA5 P08648 2/20 0.44
S1PR1 P21453 9/20 0.41
S1PR3 Q99500 6/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
OPRL1 P41146 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6679699 0.89 S1PR1 (0.43) S1PR1S1PR3OPRL1
SCHEMBL7084422 0.86 ITGB1 (0.44) ITGB1ITGA5OPRL1POLBGAA
SCHEMBL6501138 0.85 MAPT (0.44) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL7080713 0.85 ITGB1 (0.46) ITGB1ITGA5S1PR1S1PR3OPRL1
SCHEMBL7087450 0.83 ITGB1 (0.49) ITGB1ITGA5S1PR1S1PR3ITGB3
SCHEMBL6501001 0.82 OPRL1 (0.43) ITGB1ITGA5OPRL1MAPTPOLB
SCHEMBL6499275 0.82 MTTP (0.47) ITGB1ITGA5OPRL1
SCHEMBL6795238 0.80 SMO (0.47) ITGB1ITGA5OPRL1POLBGAA
SCHEMBL6680191 0.80 LMNA (0.38) S1PR1S1PR3MAPTPOLB
SCHEMBL6500761 0.80 ITGB1 (0.43) ITGB1ITGA5OPRL1MAPTPOLB

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
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed