SCHEMBL18902827

SCHEMBL18902827

CCN(CC(N)=O)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 5/20 0.33
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 3/20 0.33
BLM P54132 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PMP22 Q01453 2/20 0.33
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 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
SCHEMBL21116515 0.95
SCHEMBL177796 0.94
SCHEMBL27434395 0.92 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3453649 0.92 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8416737 0.85 CA12 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3267270 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19675385 0.83 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22089249 0.81 ALDH1A1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13895313 0.81 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8418596 0.81 CA12 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 EP disclosed