SCHEMBL11249075

SCHEMBL11249075

O=C(O)C1CCN(CCOc2ccccc2CCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.62
▸ KDM4E B2RXH2 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HRH1 P35367 4/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ DRD1 P21728 4/20 0.53
▸ DRD5 P21918 4/20 0.53
▸ DRD4 P21917 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ DRD2 P14416 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ABCB1 P08183 2/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ HTR2A P28223 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 0.93 MEN1 (0.56) LTA4HKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11260354 0.92 MEN1 (0.55) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL11254264 0.91 LTA4H (0.64) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL11258966 0.87 KDM4E (0.56) LTA4HKDM4EMEN1KMT2AKCNH2
SCHEMBL11260526 0.86 KDM4E (0.50) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL11252400 0.85 MEN1 (0.58) LTA4HKDM4EMEN1KMT2AHRH1
SCHEMBL11257743 0.85 KCNH2 (0.68) LTA4HHRH1KCNH2DRD1DRD5
SCHEMBL11259036 0.84 LTA4H (0.55) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL11256903 0.83 ABCB1 (0.60) KDM4EMEN1KMT2ADRD2ABCB1
SCHEMBL11257645 0.83 ABCB1 (0.56) KDM4EMEN1KMT2AALDH1A1DRD2

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
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