SCHEMBL11254251

SCHEMBL11254251

NC(=O)C1CCN(CCCCOc2ccccc2CCc2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.59
▸ DRD2 P14416 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ BCHE P06276 1/20 0.47

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
SCHEMBL11256903 0.91 ABCB1 (0.60) ABCB1DRD2HRH3BCHE
SCHEMBL11258366 0.89 HRH3 (0.50) ABCB1DRD2ALDH1A1HRH3LTA4H
SCHEMBL11259036 0.89 LTA4H (0.55) ABCB1ALDH1A1LTA4H
SCHEMBL11260267 0.89 ABCB1 (0.48) ABCB1DRD2ALDH1A1HRH3LTA4H
SCHEMBL11247964 0.89 ABCB1 (0.54) ABCB1DRD2LTA4HBCHE
SCHEMBL11246818 0.88 CYP2D6 (0.48) ABCB1DRD2ALDH1A1POLBHRH3
SCHEMBL11252854 0.87 KCNH2 (0.53) ALDH1A1POLBHRH3LTA4H
SCHEMBL11252400 0.86 MEN1 (0.58) ABCB1DRD2HRH3LTA4H
SCHEMBL11250630 0.84 KCNH2 (0.53) ABCB1DRD2HRH3LTA4H
SCHEMBL11248501 0.84 ABCB1 (0.66) ABCB1DRD2ALDH1A1HRH3

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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