SCHEMBL11254277

SCHEMBL11254277

Clc1ccccc1CCc1ccccc1OCCCCN1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ ALDH1A1 P00352 5/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ KCNH2 Q12809 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HRH1 P35367 3/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ DRD5 P21918 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL11257034 0.99 L3MBTL1 (0.72) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11265539 0.88 KCNH2 (0.66) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11255661 0.86 ALDH1A1 (0.62) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11253990 0.86 L3MBTL1 (0.61) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11253167 0.85 L3MBTL1 (0.81) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11251607 0.85 HRH1 (0.71) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11257123 0.85 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11248323 0.84 L3MBTL1 (0.74) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11270477 0.84 HRH1 (0.71) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11260259 0.84 HRH3 (0.69) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1

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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