SCHEMBL11750613

SCHEMBL11750613

CCCC1CCN(CCCCC(=O)c2ccc3c(c2)Cc2cc(C(=O)CCCCN4CCC(CCC)CC4)ccc2S3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.51
▸ HTR4 Q13639 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHRM1 P11229 3/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ CHRM2 P08172 3/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ DRD3 P35462 2/20 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
SCHEMBL11863515 0.87 KMT2A (0.58) KDM4EL3MBTL1CHRM2HTR1AADRA1A
SCHEMBL11679208 0.84 KDM4E (0.56) ACHEHTR4KDM4EL3MBTL1CHRM1
SCHEMBL11868967 0.84 TSHR (0.55) KDM4EL3MBTL1HRH1HTR1ADRD2
SCHEMBL11865224 0.83 KDM4E (0.65) KDM4EL3MBTL1HTR1ADRD2DRD4
SCHEMBL11748966 0.82 KDM4E (0.67) KDM4EL3MBTL1KMT2AMCHR1HRH3
SCHEMBL11806168 0.82 ACHE (0.52) ACHEHTR4CHRM1HRH1CHRM2
SCHEMBL11750620 0.79 HRH3 (0.49) CHRM1CHRM2DRD2CHRM3CHRM4
SCHEMBL11870369 0.79 KDM4E (0.51) KDM4EL3MBTL1HRH1HTR1ADRD2
SCHEMBL11732688 0.78 KDM4E (0.61) KDM4EL3MBTL1HTR1ADRD2DRD4
SCHEMBL11859502 0.76 ALDH1A1 (0.62) KDM4EL3MBTL1KMT2A

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-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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