SCHEMBL6651869

SCHEMBL6651869

CN(C)CCOCc1cc(F)ccc1Cc1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
TDO2 P48775 1/20 0.32
HTR6 P50406 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6650448 0.86 TRPM5 (0.41) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL6654159 0.80 TRPM5 (0.40) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL6672324 0.76 KDM4E (0.33) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL6650405 0.76 KMT2A (0.38) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL6649431 0.74 DRD4 (0.37) KMT2AMEN1LMNATRPM5SMN1; SMN2
SCHEMBL6650433 0.73 CASP6 (0.43) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL6675930 0.71 TRPM5 (0.50) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL6654434 0.71 DRD4 (0.37) KDM4EKMT2AMEN1LMNATRPM5
SCHEMBL6650126 0.70 DRD4 (0.34) KMT2AMEN1LMNATRPM5
SCHEMBL6650585 0.69 HRH3 (0.37)

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-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed