SCHEMBL7065196

SCHEMBL7065196

C=C(C(=O)N1CC=CCC1)c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7063010 0.80 RBP4 (0.38) NPC1RAB9A
SCHEMBL6817908 0.80 NPC1 (0.33) NPC1LMNARAB9ATDP1HPGD
SCHEMBL6817904 0.78 NPC1 (0.32) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7064158 0.77 KDM4E (0.36) HPGDTSHR
SCHEMBL6919428 0.76 NPC1 (0.39) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7065203 0.74 ITGB2 (0.35)
SCHEMBL7065796 0.71 UGT8 (0.32)
SCHEMBL6311376 0.66 ITGB2 (0.40)
SCHEMBL7064587 0.63 LMNA (0.38) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7646851 0.59 AKR1C3 (0.42) LMNAHPGDSMN1; SMN2

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed