SCHEMBL7705565

SCHEMBL7705565

O=CC=CN1CCc2ccccc2C1c1ccc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
PRCP P42785 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
LIPE Q05469 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
NPBWR1 P48145 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
SCHEMBL7705677 0.83 HHAT (0.37) PRCPSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL7705532 0.83 HHAT (0.37) PRCPSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL7698083 0.83 FNTA (0.34) PRCPFNTAFNTB
SCHEMBL7704956 0.82 CHRM3 (0.47) CHRM3PRCPMEN1RECQLKMT2A
SCHEMBL7705731 0.81 TRPM8 (0.36) PRCPADRA1DADRA1AADRA1B
SCHEMBL7705666 0.81 GAA (0.36) PRCPKDM4EGAAADRA1DADRA1A
SCHEMBL7698066 0.80 TRPM5 (0.40) ALDH1A1FNTAFNTB
SCHEMBL7701032 0.80 HPGD (0.37) CHRM3PRCPALDH1A1
SCHEMBL7703888 0.79 PRCP (0.39) CHRM3PRCPADRA1DADRA1AADRA1B
SCHEMBL7703410 0.77 PRCP (0.35) PRCPADRA1DADRA1AADRA1B

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-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed