SCHEMBL11645508

SCHEMBL11645508

CCCC1(CCN(C)C)CNC(=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.34
DRD2 P14416 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL11641093 0.90 CDC7 (0.40) UTS2RDRD2HRH3MLNRNR1I2
SCHEMBL11648471 0.88 PARP1 (0.35) DRD2CHRM2DRD3CDC7L3MBTL1
SCHEMBL11643564 0.86 CDC7 (0.32) HRH3CHRM2CHRM1CHRM3HRH1
SCHEMBL11730098 0.85 ALOX12 (0.33) UTS2RDRD2HRH3MLNRNR1I2
SCHEMBL11642674 0.80 MAPKAPK2 (0.37) UTS2RCHRM2CHRM1CHRM3HRH1
SCHEMBL11645863 0.80 CHRM2 (0.42) HRH3CHRM2ADRA2AOPRM1SIGMAR1
SCHEMBL11643919 0.79 KDM4E (0.44) CDC7
SCHEMBL11645136 0.79 CHRM2 (0.44) HRH3CHRM2ADRA2AHRH1L3MBTL1
SCHEMBL11642301 0.78 CDC7 (0.39) DRD2CHRM2CDC7SIGMAR1NPSR1
SCHEMBL11643574 0.77 DRD2 (0.39) UTS2RDRD2HRH3MLNRNR1I2

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
US-4118494-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed