SCHEMBL4139697

SCHEMBL4139697

CC(CC(N)Cc1ccnc2ccccc12)(CC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
NCF1 P14598 1/20 0.34
AAK1 Q2M2I8 11/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
DPP4 P27487 1/20 0.32
GRM4 Q14833 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL3691110 0.77 LOXL2 (0.51) LOXL2NCF1AAK1
SCHEMBL4457481 0.75 KDM4E (0.41) MAPTRAB9A
SCHEMBL3681856 0.72 NR3C1 (0.42) AAK1
SCHEMBL3945691 0.70 NR3C1 (0.40) AAK1
SCHEMBL292375 0.70 LOXL2 (0.40) LOXL2NCF1AAK1MAPTRECQL
SCHEMBL26430532 0.68 LOXL2 (0.62) LOXL2NCF1MAPTRAB9ADPP4
SCHEMBL6210594 0.68 LOXL2 (0.62) LOXL2NCF1MAPTRAB9ADPP4
SCHEMBL3657968 0.68 LOXL2 (0.36) LOXL2NCF1AAK1FLT1KDR
SCHEMBL6222669 0.68 NR3C1 (0.45) AAK1
SCHEMBL293446 0.68 NR3C1 (0.48)

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-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP disclosed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO disclosed