SCHEMBL4583160

SCHEMBL4583160

CN1CCC(c2cccnc2N(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR6 P50406 1/20 0.41
SSTR4 P31391 3/20 0.40
SSTR1 P30872 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL131674 0.79 HTR1A (0.51) HTR1AHTR2C
SCHEMBL26971374 0.79 HTR6 (0.46) HTR2AHTR2BHTR6SSTR4SSTR1
SCHEMBL29353268 0.79 HTR6 (0.46) HTR2AHTR2BHTR6SSTR4SSTR1
SCHEMBL17477141 0.78 HTR1D (0.43) HTR2AHTR2BHTR6SSTR4SSTR1
SCHEMBL17001658 0.75 SSTR4 (0.51) SSTR4SSTR1HTR1AHTR1F
SCHEMBL29961897 0.74 SSTR4 (0.42) HTR2AHTR2BHTR6SSTR4SSTR1
SCHEMBL20473477 0.72 CHRM4 (0.48) OPRM1CHRM2
SCHEMBL17477167 0.72 HTR6 (0.41) HTR2AHTR2BHTR6SSTR4SSTR1
SCHEMBL3584144 0.70 GAA (0.42) HTR2AHTR2BHTR6CHRM2CHRM1
SCHEMBL30909178 0.69 HTR1F (0.65) HTR2AHTR6CYP1A2HTR1ACYP2D6

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-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed