SCHEMBL172513

SCHEMBL172513

Fc1ccc(C2CCN2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
MAOB P27338 1/20 0.45
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ADRA2C P18825 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
GRIA4 P48058 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
SCHEMBL3330878 0.86 L3MBTL1 (0.53) KDM1AMAOBCHRNB2CHRNA4L3MBTL1
SCHEMBL30504206 0.86 L3MBTL1 (0.53) KDM1AMAOBCHRNB2CHRNA4L3MBTL1
SCHEMBL6179869 0.86 L3MBTL1 (0.53) KDM1AMAOBCHRNB2CHRNA4L3MBTL1
SCHEMBL1765187 0.85 L3MBTL1 (0.47) KDM1AMAOBCHRNB2CHRNA4L3MBTL1
SCHEMBL2708299 0.81 KDM1A (0.41) KDM1AMAOBCHRNB2CHRNA4HTR2A
SCHEMBL25988651 0.80 CHRNB2 (0.43) KDM1ACHRNB2CHRNA4HTR2CADRA2C
SCHEMBL24364462 0.78 KDM1A (0.36) KDM1AMAOBCHRNB2CHRNA4HTR2A
SCHEMBL25319916 0.78 KDM1A (0.36) KDM1AMAOBCHRNB2CHRNA4HTR2A
SCHEMBL2705766 0.78 KDM1A (0.40) KDM1AMAOBCHRNB2CHRNA4HTR2A
SCHEMBL14831545 0.77 KDM1A (0.41) KDM1AMAOBCHRNB2CHRNA4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed