SCHEMBL11716166

SCHEMBL11716166

CC(Oc1ccc(C(=O)c2ccc(N)c(N)c2)cc1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL11713217 0.97 SLC6A3 (0.44) SLC6A3SMN1; SMN2NPSR1
SCHEMBL11712930 0.91 SLC6A3 (0.39) SLC6A3HTT
SCHEMBL11716096 0.88 SLC6A3 (0.43) SLC6A3
SCHEMBL28380363 0.85 ELANE (0.46) SLC6A3ALDH1A1LMNA
SCHEMBL11712045 0.85 SLC6A3 (0.41) SLC6A3SMN1; SMN2LTA4H
SCHEMBL11714559 0.83 SLC6A3 (0.43) SLC6A3
SCHEMBL11717919 0.82 SLC6A3 (0.38) SLC6A3ALDH1A1LMNA
SCHEMBL11717552 0.82 NR4A1 (0.45) SLC6A3LTA4H
SCHEMBL11711829 0.79 SLC6A3 (0.41) SLC6A3ALDH1A1LMNA
SCHEMBL5317949 0.79 PARP10 (0.51) SLC6A3ALDH1A1LMNA

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-4010272-A ANTHELMINTICALLY ACTIVE BASICALLY SUBSTITUTED 2-CARBALKOXY-AMINO-BENZIMIDAZOLYL-5(6)-PHENYL ETHERS AND -KETONES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed