SCHEMBL467519

SCHEMBL467519

CCCCOC(=O)N[C@@H]1CCc2ccc(NC(=NC#N)Oc3ccccc3)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.39
MCHR1 Q99705 1/20 0.38
TAOK3 Q9H2K8 3/20 0.37
TAOK1 Q7L7X3 2/20 0.37
APOB P04114 2/20 0.37
MTTP P55157 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL467518 1.00 FAAH (0.39) FAAHMCHR1TAOK3TAOK1APOB
SCHEMBL2056589 0.84 DRD2 (0.42) MCHR1APOBMTTPRAB9ADRD2
SCHEMBL2056591 0.84 DRD2 (0.42) MCHR1APOBMTTPRAB9ADRD2
SCHEMBL13211824 0.81 MCHR1 (0.37) MCHR1APOBMTTPRAB9ANPC1
SCHEMBL2056692 0.77 ADRA2A (0.38) MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL467520 0.77 ADRA2A (0.38) MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL12732357 0.73 FAAH (0.57) FAAH
SCHEMBL467615 0.73 HRH3 (0.42) FAAHRAB9ANPC1SMN1; SMN2
SCHEMBL1638017 0.73 HRH3 (0.42) FAAHRAB9ANPC1SMN1; SMN2
SCHEMBL467616 0.73 HRH3 (0.42) FAAHRAB9ANPC1SMN1; 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-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
WO-2010083465-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed