SCHEMBL11259104

SCHEMBL11259104

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.51
▸ HTR2A P28223 4/20 0.50
▸ ABCB1 P08183 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ GRM2 Q14416 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD5 P21918 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SLC6A4 P31645 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
SCHEMBL11259471 0.93 KDM4E (0.53) ABCB1KDM4EL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL11254828 0.92 KDM4E (0.52) KCNH2ABCB1KDM4EL3MBTL1MEN1
SCHEMBL11258966 0.88 KDM4E (0.56) KCNH2HTR2AABCB1KDM4EGRM2
SCHEMBL11250630 0.87 KCNH2 (0.53) KCNH2HTR2AABCB1KDM4EGRM2
SCHEMBL11253483 0.86 LTA4H (0.53) KCNH2HTR2AABCB1KDM4EGRM2
SCHEMBL11259087 0.84 KCNH2 (0.58) KCNH2HTR2AABCB1KDM4ECYP1A2
SCHEMBL11251231 0.84 ALDH1A1 (0.60) KCNH2ABCB1KDM4ECYP2D6MEN1
SCHEMBL11246207 0.83 KDM4E (0.53) KCNH2HTR2AABCB1KDM4ECYP1A2
SCHEMBL11256008 0.82 KDM4E (0.52) ABCB1KDM4EDRD2L3MBTL1MEN1
SCHEMBL11250779 0.82 KDM4E (0.56) HTR2AABCB1KDM4ECYP1A2CYP3A4

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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