SCHEMBL11715650

SCHEMBL11715650

CCCN(CCC)CCCCOc1ccc(C(=O)c2ccc(N)c(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 11/20 0.53
▸ ACHE P22303 10/20 0.53
▸ THRA P10827 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ SLC2A1 P11166 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 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
SCHEMBL11718751 0.96 BCHE (0.52) BCHEACHETHRATHRBSLC2A1
SCHEMBL11714059 0.95 THRA (0.57) BCHEACHETHRATHRB
SCHEMBL11715756 0.93 BCHE (0.51) BCHEACHETHRATHRBSLC2A1
SCHEMBL11712203 0.91 THRA (0.55) BCHEACHETHRATHRB
SCHEMBL11719494 0.91 BCHE (0.58) BCHEACHEMAOB
SCHEMBL11719732 0.90 THRA (0.54) BCHEACHETHRATHRB
SCHEMBL11720224 0.90 KMT2A (0.49) BCHEACHETHRATHRB
SCHEMBL11717604 0.88 BCHE (0.59) BCHEACHEMAOB
SCHEMBL11719155 0.86 KDM4E (0.52) BCHEACHETHRATHRB
SCHEMBL11716788 0.86 ESR1 (0.48) BCHEACHETHRATHRB

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
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