SCHEMBL11746360

SCHEMBL11746360

O=C(CCCN1CCCCC1)c1ccc2c(c1)Cc1c(cccc1C(=O)CCCN1CCCCC1)S2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL11732688 0.87 KDM4E (0.61) L3MBTL1KDM4EHTR1ADRD2HTR2A
SCHEMBL11752267 0.86 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL11871520 0.84 KDM4E (0.59) L3MBTL1KDM4EHTR1ADRD2HTR2A
SCHEMBL11748966 0.83 KDM4E (0.67) L3MBTL1KDM4EMCHR1ALDH1A1KMT2A
SCHEMBL11827023 0.82 CTNNB1 (0.36) L3MBTL1KDM4E
SCHEMBL11865224 0.82 KDM4E (0.65) L3MBTL1KDM4EHTR1ADRD2HTR2A
SCHEMBL11811393 0.78 L3MBTL1 (0.38) L3MBTL1HTR1AHTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL11816781 0.77 L3MBTL1 (0.40) L3MBTL1HTR1AHTR2AHTR2CDRD3
SCHEMBL11813184 0.76 ALDH1A1 (0.35) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL11859502 0.75 ALDH1A1 (0.62) L3MBTL1KDM4EALDH1A1KMT2AMAPT

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 2 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-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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