SCHEMBL6650448

SCHEMBL6650448

CN(C)CCOCc1cc(Cl)ccc1Cc1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NR4A2 P43354 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
CCR4 P51679 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6654159 0.93 TRPM5 (0.40) TRPM5KMT2AKDM4EMEN1LMNA
SCHEMBL6651869 0.86 GPR6 (0.35) TRPM5KMT2AKDM4EALDH1A1MEN1
SCHEMBL6650633 0.85 ALDH1A1 (0.38) TRPM5KMT2AKDM4EALDH1A1MEN1
SCHEMBL6675930 0.83 TRPM5 (0.50) TRPM5KMT2AKDM4EALDH1A1MEN1
SCHEMBL6650585 0.82 HRH3 (0.37)
SCHEMBL6672324 0.81 KDM4E (0.33) TRPM5KMT2AKDM4EALDH1A1MEN1
SCHEMBL6649239 0.80 TRPM5 (0.49) TRPM5KMT2AKDM4EALDH1A1MAPK1
SCHEMBL6648867 0.80 SLC6A4 (0.32) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL6649431 0.78 DRD4 (0.37) TRPM5KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6648442 0.76 HRH3 (0.39)

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