SCHEMBL14206873

SCHEMBL14206873

C=C(OCCOC(=O)CCN1CCN(C)CC1)c1ccc(N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.43
▸ THRA P10827 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.40
▸ DRD3 P35462 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CHRM2 P08172 1/20 0.36

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
SCHEMBL13210544 0.91 ALDH1A1 (0.46) THRBTHRAHRH3TSHRKDM4E
SCHEMBL12132510 0.88 HRH3 (0.49) THRBTHRAHRH3DRD3TSHR
SCHEMBL12132513 0.79 KMT2A (0.55) THRBTHRAHRH3TSHRKDM4E
SCHEMBL12132512 0.77 ATM (0.57) THRBTHRAKDM4EALDH1A1MAPT
SCHEMBL13485578 0.72 TP53 (0.47) THRBTHRAHRH3KDM4EALDH1A1
SCHEMBL12132530 0.72 KMT2A (0.58) HRH3DRD3TSHRKDM4EALDH1A1
SCHEMBL13601498 0.71 DNM1 (0.49) THRBTHRAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL822424 0.71 THRB (0.47) THRBTHRAHRH3KDM4EALDH1A1
SCHEMBL14201122 0.71 THRB (0.44) THRBTSHRKDM4EALDH1A1MAPT
SCHEMBL673537 0.70 ALDH1A1 (0.44) THRBTHRATSHRALDH1A1MAPT

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
WO-2008061954-A1 NOVEL CO-INITIATORS AGFA GRAPHICS NV (BE) 2008-05-29 — — WO disclosed
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