SCHEMBL9850475

SCHEMBL9850475

Clc1ccc2nccc(NCCNCCNc3cccc4ccccc34)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.62
CDK8 P49336 1/20 0.62
CYP1A2 P05177 1/20 0.56
HTR1A P08908 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
CCR1 P32246 1/20 0.50
FERMT2 Q96AC1 4/20 0.49
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9850407 0.86 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850497 0.85 CYP1A2 (0.57) CCNCCDK8CYP1A2KDM4EALDH1A1
SCHEMBL9850457 0.78 HTR1A (0.71) CYP1A2HTR1AADRA1DADRA1AADRA1B
SCHEMBL18962393 0.77 CYP1A2 (0.91) CYP1A2CCR1FERMT2PKMKDM4E
SCHEMBL30402656 0.77 CYP1A2 (0.91) CYP1A2CCR1FERMT2PKMKDM4E
SCHEMBL15483248 0.77 CYP1A2 (0.91) CYP1A2CCR1FERMT2PKMKDM4E
SCHEMBL21750458 0.77 CCNC (1.00) CCNCCDK8CYP1A2HTR1AADRA1D
SCHEMBL9850466 0.77 HTR1A (0.89) CYP1A2HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9850339 0.76 FADS1 (0.60) PKMKDM4EMEN1ALDH1A1LMNA
SCHEMBL9850499 0.75 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BFERMT2

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed