SCHEMBL5035220

SCHEMBL5035220

Cc1ccc(-c2nc(CCN)c[nH]2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
NISCH Q9Y2I1 1/20 0.38
HTR2A P28223 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
GRIN2B Q13224 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR1A P08908 2/20 0.33
MPO P05164 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HTR2C P28335 1/20 0.33
DPP4 P27487 1/20 0.33
PTGES O14684 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5042576 0.90 NISCH (0.39) KMONISCHHTR2ATAAR1GRIN2B
SCHEMBL600053 0.82 TAAR1 (0.50) HTR2ATAAR1DPP4MGAMGAA
SCHEMBL28128066 0.80 MAOB (0.44) HTR2ATAAR1HTR1AMPOTRPM8
SCHEMBL1436268 0.73 LOXL2 (0.40) NISCHHTR2ATAAR1MPOHTR2C
SCHEMBL3028276 0.72 HRH1 (0.57) TAAR1DPP4MGAMGAASI
SCHEMBL15974857 0.72 HRH1 (0.57) HTR2ATAAR1HDAC1HDAC6TRPM8
SCHEMBL2560329 0.72 ERN1 (0.43) KMONISCHGRIN2BHDAC1HDAC6
SCHEMBL3012997 0.72 HRH1 (0.60) TAAR1IDO1KMT2A
SCHEMBL28128068 0.70 DCUN1D1 (0.42) HTR2ATAAR1MPOHTR2CDPP4
SCHEMBL7010798 0.69 TAAR1 (0.41) TAAR1KMT2A

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-1680420-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP disclosed
EP-1680420-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-19 EP disclosed
WO-2005046588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-05-26 WO disclosed