SCHEMBL7705677

SCHEMBL7705677

O=CC=CN1CCc2ccccc2C1c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
PRCP P42785 3/20 0.36
PPARG P37231 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL7705532 1.00 HHAT (0.37) HHATTRPM8PRCPPPARGSIGMAR1
SCHEMBL7705731 0.87 TRPM8 (0.36) TRPM8PRCPPPARGADRA1DADRA1A
SCHEMBL7705666 0.87 GAA (0.36) TRPM8PRCPPPARGADRA1DADRA1A
SCHEMBL7698066 0.86 TRPM5 (0.40) HHAT
SCHEMBL7704918 0.86 CYP2D6 (0.42) HHATPPARG
SCHEMBL7703410 0.85 PRCP (0.35) HHATTRPM8PRCPPPARGADRA1D
SCHEMBL7698083 0.85 FNTA (0.34) PRCP
SCHEMBL7700055 0.84 DRD1 (0.41) SIGMAR1GRIN1GRIN2B
SCHEMBL7705565 0.83 CHRM3 (0.35) PRCPSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL7699715 0.83 KDM4E (0.38) TRPM8PRCPPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed