SCHEMBL11264617

SCHEMBL11264617

Fc1ccc(CCc2ccccc2OCCCCN2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HRH1 P35367 5/20 0.60
HRH3 Q9Y5N1 1/20 0.58
ABCB1 P08183 2/20 0.58
DRD2 P14416 2/20 0.57
DRD1 P21728 2/20 0.57
DRD4 P21917 2/20 0.57
DRD5 P21918 2/20 0.57
DRD3 P35462 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 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
SCHEMBL11250152 0.99 KCNH2 (0.62) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11270477 0.91 HRH1 (0.71) KDM4EALDH1A1MEN1KMT2AHRH1
SCHEMBL11251607 0.90 HRH1 (0.71) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11257123 0.89 L3MBTL1 (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11253990 0.88 L3MBTL1 (0.61) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11259087 0.86 KCNH2 (0.58) KCNH2KDM4ECYP1A2CYP2D6CYP3A4
SCHEMBL11251231 0.86 ALDH1A1 (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11252266 0.86 ALDH1A1 (0.72) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11260259 0.83 HRH3 (0.69) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11256589 0.83 HRH1 (0.72) KCNH2KDM4EALDH1A1CYP2D6CYP2C19

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 3 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