SCHEMBL11264264

SCHEMBL11264264

OCCN1CCN(CCCCOc2ccccc2CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 12/20 0.53
▸ KCNH2 Q12809 3/20 0.52
▸ DRD2 P14416 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL11250769 0.90 KCNH2 (0.62) ABCB1KCNH2DRD2L3MBTL1KDM4E
SCHEMBL11253990 0.89 L3MBTL1 (0.61) ABCB1KCNH2DRD2L3MBTL1CYP1A2
SCHEMBL11257123 0.88 L3MBTL1 (0.60) KCNH2DRD2L3MBTL1CYP1A2CYP2D6
SCHEMBL11265539 0.87 KCNH2 (0.66) ABCB1KCNH2L3MBTL1CYP1A2CYP2D6
SCHEMBL11258518 0.85 ABCB1 (0.53) ABCB1KCNH2DRD2L3MBTL1KDM4E
SCHEMBL11246032 0.84 HRH3 (0.60) ABCB1KDM4EALDH1A1
SCHEMBL11251525 0.83 SIGMAR1 (0.61) ABCB1KCNH2DRD2L3MBTL1KDM4E
SCHEMBL11260526 0.83 KDM4E (0.50) ABCB1L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11259169 0.82 KCNH2 (0.62) ABCB1KCNH2DRD2L3MBTL1KDM4E
SCHEMBL11265533 0.82 KDM4E (0.56) ABCB1KCNH2DRD2L3MBTL1CYP1A2

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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