SCHEMBL7702576

SCHEMBL7702576

Cn1nc(CC(N)=O)cc1C1NCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
GID4 Q8IVV7 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 6/20 0.37
OPRK1 P41145 2/20 0.37

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
SCHEMBL7697968 0.90 PRCP (0.47) PRCPRECQLGAAGID4TSHR
SCHEMBL7699653 0.85 PRCP (0.48) PRCPRECQLGAAGID4TSHR
SCHEMBL7699747 0.83 PRCP (0.46) PRCPRECQLGAAGID4TSHR
SCHEMBL5023198 0.77 PRCP (0.55) PRCPRECQLGAAGID4TSHR
SCHEMBL5023205 0.77 PRCP (0.55) PRCPRECQLGAAGID4TSHR
SCHEMBL7704232 0.76 PRCP (0.41) PRCPRECQLGAAGID4TSHR
SCHEMBL7704233 0.76 PRCP (0.41) PRCPRECQLGAAGID4TSHR
Urea SCHEMBL28007088 0.70 PRCP (0.81) PRCPRECQLGAAGID4TSHR
Carbamic Acid SCHEMBL9226170 0.70 PRCP (0.81) PRCPRECQLGAAGID4TSHR
Urea SCHEMBL27886692 0.69 GAA (0.81) PRCPRECQLGAAGID4TSHR

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
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed