SCHEMBL14237013

SCHEMBL14237013

COc1ccc2c(c1)CCN(C(C1CCNCC1)S(=O)(=O)c1cc(C)c(Cl)cc1C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HTR6 P50406 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ACLY P53396 1/20 0.33

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
Hydrochloric Acid SCHEMBL4894448 0.99 L3MBTL1 (0.36) L3MBTL1KMT2ADRD1DRD5PKM
SCHEMBL14237162 0.90 HTR2C (0.37) L3MBTL1DRD1DRD5PKMSMN1; SMN2
SCHEMBL14237041 0.89 MAPT (0.39) KMT2APKMHTR6CA7ALK
Hydrochloric Acid SCHEMBL1626880 0.89 HTR2C (0.36) L3MBTL1DRD1DRD5PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL1627696 0.88 MAPT (0.38) KMT2APKMHTR6CA7ALK
SCHEMBL14237012 0.88 HTR6 (0.37) KMT2AHTR6ALDH1A1
SCHEMBL14236970 0.87 DRD1 (0.41) KMT2ADRD1DRD5USP30HTR6
Hydrochloric Acid SCHEMBL1625924 0.87 HTR6 (0.36) KMT2AHTR6ALDH1A1SLC6A2SLC6A4
SCHEMBL14237084 0.86 USP2 (0.39) KMT2ADRD1DRD5PKMESR1
Hydrochloric Acid SCHEMBL1627851 0.86 DRD1 (0.40) KMT2ADRD1DRD5USP30HTR6

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
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP claimed
US-8822233-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2014-09-02 US disclosed