SCHEMBL11260094

SCHEMBL11260094

O=C(O)C1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ABCB1 P08183 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45

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
SCHEMBL11260340 0.92 KCNH2 (0.54) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11246818 0.91 CYP2D6 (0.48) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11260526 0.88 KDM4E (0.50) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11256903 0.87 ABCB1 (0.60) KDM4EL3MBTL1KMT2AMEN1ABCB1
SCHEMBL11255705 0.85 ABCB1 (0.49) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11269080 0.84 MEN1 (0.56) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11260354 0.83 MEN1 (0.55) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11252854 0.83 KCNH2 (0.53) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11255351 0.83 KDM4E (0.54) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11258966 0.81 KDM4E (0.56) KDM4EL3MBTL1KMT2AMEN1ABCB1

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 4 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
EP-0001759-A1 (Omega-aminoalkoxy) bibenzyls, processes for their preparation and pharmaceutical compositions containing these substances MITSUBISHI KASEI CORPORATION (JP) 1979-05-16 — — EP disclosed
Send feedback