SCHEMBL5394097

SCHEMBL5394097

CN1CCC(N(C)C2=CC=C(C(F)(F)F)C[CH]2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.41
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3980499 0.65 MCHR1 (0.31) MCHR1
SCHEMBL10104292 0.64 HTR2A (0.39) MCHR1HTR2AHTR2CNOS3NOS1
SCHEMBL19755936 0.63 MCHR1 (0.40) MCHR1HTR2AHTR2CNOS3NOS1
SCHEMBL2746950 0.63 HTR2A (0.44) MCHR1HTR2AHTR2CNOS3NOS1
SCHEMBL10104398 0.62 NOS3 (0.38) MCHR1HTR2AHTR2CNOS3NOS1
SCHEMBL20387676 0.62 HTR2A (0.40) MCHR1HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL28780856 0.61 MCHR1 (0.59) MCHR1HRH3
SCHEMBL172592 0.61
SCHEMBL81996 0.61
SCHEMBL172541 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007518824-A 2007-07-12 JP claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP disclosed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed