SCHEMBL11269080

SCHEMBL11269080

O=C(O)C1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ ABCB1 P08183 8/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HRH1 P35367 1/20 0.51

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
Hydrochloric Acid SCHEMBL11260354 0.99 MEN1 (0.55) MEN1KMT2AKDM4EL3MBTL1LTA4H
SCHEMBL11258966 0.94 KDM4E (0.56) MEN1KMT2AKDM4EL3MBTL1LTA4H
SCHEMBL11249075 0.93 LTA4H (0.62) MEN1KMT2AKDM4ELTA4HABCB1
SCHEMBL11260526 0.93 KDM4E (0.50) MEN1KMT2AKDM4EL3MBTL1LTA4H
SCHEMBL11259036 0.91 LTA4H (0.55) MEN1KMT2AKDM4EL3MBTL1LTA4H
Hydrochloric Acid SCHEMBL11250895 0.90 MEN1 (0.53) MEN1KMT2AKDM4EL3MBTL1ABCB1
SCHEMBL11257645 0.90 ABCB1 (0.56) MEN1KMT2AKDM4EL3MBTL1ABCB1
SCHEMBL11256903 0.90 ABCB1 (0.60) MEN1KMT2AKDM4EL3MBTL1ABCB1
SCHEMBL11256314 0.90 ABCB1 (0.54) MEN1KMT2AKDM4EL3MBTL1ABCB1
SCHEMBL11260340 0.90 KCNH2 (0.54) MEN1KMT2AKDM4EL3MBTL1LTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55013222-A — — None — — JP disclosed
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
JP-S5513222-A AMINOALKOXYBIBENZYL AND ITS ACID ADDITION SALT MITSUBISHI CHEM IND LTD 1980-01-30 — — JP 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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