SCHEMBL8508972

SCHEMBL8508972

Cn1n[c]cc1C1NCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.53
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
GID4 Q8IVV7 1/20 0.48
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL5023205 0.75 PRCP (0.55) PRCPGAARECQLGID4MAPT
SCHEMBL5023198 0.75 PRCP (0.55) PRCPGAARECQLGID4MAPT
SCHEMBL7699653 0.71 PRCP (0.48) PRCPGAARECQLGID4MAPT
SCHEMBL1668148 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL30721685 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL29478499 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL325083 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL327233 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL12046710 0.70 PRCP (1.00) PRCPGAARECQLGID4MEN1
SCHEMBL7699747 0.69 PRCP (0.46) PRCPGAARECQLGID4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed