SCHEMBL7703162

SCHEMBL7703162

c1ccc2c(c1)CCN[C@H]2c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.57
GAA P10253 1/20 0.54
GID4 Q8IVV7 1/20 0.50
RECQL P46063 1/20 0.50
LTA4H P09960 4/20 0.47
HRH3 Q9Y5N1 3/20 0.47
OPRM1 P35372 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SLC22A1 O15245 1/20 0.41

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
SCHEMBL7703158 1.00 PRCP (0.57) PRCPGAAGID4RECQLLTA4H
SCHEMBL7697950 0.86 PRCP (0.58) PRCPGAAGID4RECQLLTA4H
SCHEMBL7697946 0.86 PRCP (0.58) PRCPGAAGID4RECQLLTA4H
SCHEMBL7704232 0.76 PRCP (0.41) PRCPGAAGID4RECQLOPRM1
SCHEMBL7704233 0.76 PRCP (0.41) PRCPGAAGID4RECQLOPRM1
SCHEMBL7699142 0.76 PRCP (0.68) PRCPGAAGID4RECQLTSHR
SCHEMBL329886 0.75 OPRM1 (0.59) PRCPGAAOPRM1SMN1; SMN2SLC22A1
SCHEMBL7702361 0.74 OPRM1 (0.41) PRCPGAAGID4RECQLOPRM1
SCHEMBL7699151 0.74 OPRM1 (0.41) PRCPGAAGID4RECQLOPRM1
SCHEMBL7702406 0.74 OPRM1 (0.41) PRCPGAAGID4RECQLOPRM1

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 4 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
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed