SCHEMBL3657968

SCHEMBL3657968

CC(C)(CC(NCc1ccnc2ccccc12)C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.36
FLT1 P17948 3/20 0.33
KDR P35968 3/20 0.33
CYP11B2 P19099 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD11B1 P28845 1/20 0.33
IGF1R P08069 1/20 0.33
NR3C1 P04150 1/20 0.33
TACR1 P25103 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
NCF1 P14598 1/20 0.32
CNR2 P34972 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL6225165 0.82 NR3C1 (0.50) NR3C1
SCHEMBL292375 0.73 LOXL2 (0.40) LOXL2FLT1KDRCYP11B2NR3C1
SCHEMBL293446 0.70 NR3C1 (0.48) NR3C1
SCHEMBL27500715 0.69 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4432727 0.68 NR3C1 (0.36) NR3C1
SCHEMBL4139697 0.68 LOXL2 (0.38) LOXL2FLT1KDRADORA2AADORA1
SCHEMBL269209 0.68 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4460513 0.68 NR3C1 (0.48) NR3C1
SCHEMBL292125 0.65 NR3C1 (0.43) LOXL2FLT1KDRCYP11B2HSD11B1
SCHEMBL1253989 0.64 LOXL2 (0.58) LOXL2ADORA2AADORA1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 EP disclosed
EP-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP disclosed
WO-2009042377-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB INCORPORATED (US) 2009-04-02 WO disclosed
WO-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed