SCHEMBL11253483

SCHEMBL11253483

CCOC(=O)C1CCN(CCCCOc2ccccc2CCc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ KCNH2 Q12809 4/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ HTR2A P28223 2/20 0.49
▸ ABCB1 P08183 2/20 0.49
▸ GRM2 Q14416 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 1/20 0.48

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
SCHEMBL11247662 0.93 KMT2A (0.59) LTA4HKMT2AMEN1POLBKCNH2
Hydrochloric Acid SCHEMBL11253686 0.92 KMT2A (0.58) LTA4HKMT2AMEN1POLBKCNH2
SCHEMBL11257999 0.90 MEN1 (0.60) LTA4HKMT2AMEN1POLBKCNH2
SCHEMBL11258966 0.87 KDM4E (0.56) LTA4HKMT2AMEN1KCNH2HTR2A
SCHEMBL11260159 0.87 L3MBTL1 (0.53) LTA4HKMT2AMEN1POLBKCNH2
SCHEMBL11250630 0.86 KCNH2 (0.53) LTA4HKCNH2HRH3HTR2AABCB1
SCHEMBL11259104 0.86 KCNH2 (0.51) KMT2AMEN1KCNH2HTR2AABCB1
SCHEMBL11251375 0.83 ABCB1 (0.54) LTA4HKMT2AMEN1ALDH1A1ABCB1
SCHEMBL11251231 0.83 ALDH1A1 (0.60) KMT2AMEN1KCNH2HRH3ALDH1A1
SCHEMBL11259087 0.83 KCNH2 (0.58) KCNH2HTR2AABCB1KDM4ECYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323568-A INHIBIT PLATELET AGGREGATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1982-04-06 — — US disclosed
EP-0001759-B1 (OMEGA-AMINOALKOXY) BIBENZYLS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE SUBSTANCES MITSUBISHI KASEI CORPORATION (JP) 1981-12-30 — — EP disclosed
US-4220603-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1980-09-02 — — US disclosed
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