SCHEMBL7704168

SCHEMBL7704168

Clc1ccc([C@H]2NCCc3ccccc32)nc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.61
GAA P10253 2/20 0.50
RECQL P46063 1/20 0.50
GID4 Q8IVV7 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
SLC22A1 O15245 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL7704163 1.00 PRCP (0.61) PRCPGAARECQLGID4OPRM1
SCHEMBL7700080 0.79 PRCP (0.57) PRCPGAARECQLGID4OPRM1
SCHEMBL7700079 0.79 PRCP (0.57) PRCPGAARECQLGID4OPRM1
SCHEMBL7702387 0.78 RECQL (0.59) PRCPGAARECQLGID4MAPT
SCHEMBL7698338 0.78 RECQL (0.59) PRCPGAARECQLGID4MAPT
SCHEMBL5023257 0.78 RECQL (0.59) PRCPGAARECQLGID4MAPT
Hydrochloric Acid SCHEMBL2794166 0.78 PRCP (0.56) PRCPGAARECQLGID4OPRM1
SCHEMBL21063715 0.76 PRCP (1.00) PRCPGAARECQLGID4OPRM1
SCHEMBL30973226 0.76 PRCP (1.00) PRCPGAARECQLGID4OPRM1
SCHEMBL3072702 0.76 PRCP (1.00) PRCPGAARECQLGID4OPRM1

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