SCHEMBL5740573

SCHEMBL5740573

Cc1cc(N)c2cc(Nc3cc(COc4ccccc4)nc(N)n3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 3/20 0.57
OPRL1 P41146 12/20 0.56
TERT O14746 3/20 0.55
OPRM1 P35372 2/20 0.49
MAPT P10636 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRB3 P13945 1/20 0.48
ADRA2B P18089 1/20 0.48
S1PR1 P21453 1/20 0.48
FPR1 P21462 1/20 0.48
FPR3 P25089 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL5741129 0.82 DOT1L (0.51) DOT1LOPRL1TERTOPRM1MAPT
SCHEMBL5743245 0.81 AGPAT2 (0.45) OPRL1MAPT
SCHEMBL5744066 0.81 DOT1L (0.49) DOT1LOPRL1TERTOPRM1MAPT
SCHEMBL5742553 0.81 DOT1L (0.78) DOT1LTERTMAPT
SCHEMBL5740488 0.74 HSP90AA1 (0.57) DOT1LOPRL1TERT
SCHEMBL27890181 0.74 TERT (0.69) DOT1LOPRL1TERT
SCHEMBL5741412 0.74 DOT1L (0.57) DOT1LOPRL1TERT
SCHEMBL5744090 0.73 DOT1L (0.59) DOT1LOPRL1TERTMAPT
SCHEMBL5741763 0.73 DOT1L (0.62) DOT1LTERTMAPT
SCHEMBL5742707 0.73 AGPAT2 (0.49) MAPT

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-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed