SCHEMBL11250779

SCHEMBL11250779

CCCN(CCC)C(=O)C1CCN(CCCCOc2ccccc2CCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ABCB1 P08183 3/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL11246207 0.92 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL11259471 0.88 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL11254828 0.87 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL11269080 0.85 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11260159 0.85 L3MBTL1 (0.53) KDM4EMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL11260354 0.84 MEN1 (0.55) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11247662 0.83 KMT2A (0.59) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL11251375 0.83 ABCB1 (0.54) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11259036 0.83 LTA4H (0.55) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11265008 0.83 L3MBTL1 (0.52) KDM4EMEN1KMT2AALDH1A1LMNA

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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