SCHEMBL7706720

SCHEMBL7706720

Cc1cc(C2c3ccccc3CCN2C=CC=O)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
DRD1 P21728 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL7703165 0.85 PRCP (0.35) PRCPL3MBTL1HTTDRD1
SCHEMBL7702900 0.83 PRCP (0.34) PRCPL3MBTL1HTTDRD1
SCHEMBL7699898 0.80 BCHE (0.34) PRCPL3MBTL1HTTALDH1A1LMNA
SCHEMBL7699760 0.79 PRCP (0.36) PRCPL3MBTL1HTTDRD1ADRA1D
SCHEMBL7702996 0.76 TRPM8 (0.39) PRCP
SCHEMBL7702539 0.76 PRCP (0.46) PRCPOPRM1
SCHEMBL7701133 0.76 PRCP (0.54) PRCP
SCHEMBL7699773 0.74 PRCP (0.33) PRCPL3MBTL1HTTDRD1ADRA1D
SCHEMBL7702490 0.74 PRCP (0.36) PRCPL3MBTL1HTTDRD1ADRA1D
SCHEMBL7698116 0.74 TRPM8 (0.45) PRCP

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