SCHEMBL11258966

SCHEMBL11258966

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ HTR2A P28223 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KCNH2 Q12809 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ABCB1 P08183 3/20 0.51
▸ GRM2 Q14416 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LTA4H P09960 1/20 0.50

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
SCHEMBL11269080 0.94 MEN1 (0.56) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11260354 0.93 MEN1 (0.55) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11250630 0.91 KCNH2 (0.53) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11260526 0.91 KDM4E (0.50) KDM4EL3MBTL1ABCB1MEN1KMT2A
SCHEMBL11256314 0.90 ABCB1 (0.54) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11255351 0.89 KDM4E (0.54) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11259104 0.88 KCNH2 (0.51) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11253483 0.87 LTA4H (0.53) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11259087 0.87 KCNH2 (0.58) KDM4EHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL11249075 0.87 LTA4H (0.62) KDM4EHTR2AKCNH2ABCB1MEN1

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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