SCHEMBL11246818

SCHEMBL11246818

NC(=O)C1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ F10 P00742 3/20 0.47
▸ ABCB1 P08183 2/20 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
SCHEMBL11252854 0.92 KCNH2 (0.53) CYP2D6KCNH2L3MBTL1CYP1A2CYP2C19
SCHEMBL11260094 0.91 KDM4E (0.48) CYP2D6EPHX2ABCB1KCNH2L3MBTL1
SCHEMBL11258366 0.88 HRH3 (0.50) CYP2D6CHRM5ADRA2ADRD2ADRA2B
SCHEMBL11254251 0.88 ABCB1 (0.59) DRD2ABCB1ALDH1A1HRH3POLB
SCHEMBL11260267 0.86 ABCB1 (0.48) CYP2D6DRD2ABCB1KCNH2L3MBTL1
SCHEMBL11259036 0.84 LTA4H (0.55) CYP2D6HTR2AHRH1ABCB1KCNH2
SCHEMBL11261087 0.83 KDM4E (0.52) CYP2D6ABCB1L3MBTL1CYP2C19KDM4E
SCHEMBL11257614 0.83 KDM4E (0.50) CYP2D6HTR2AL3MBTL1CYP1A2CYP2C19
SCHEMBL11260340 0.83 KCNH2 (0.54) CYP2D6KCNH2L3MBTL1CYP1A2CYP2C19
SCHEMBL11250630 0.81 KCNH2 (0.53) CYP2D6ADRA2ADRD2ADRA2CDRD1

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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