SCHEMBL14237162

SCHEMBL14237162

COc1ccc2c(c1)CCN(C(C1CCCNC1)S(=O)(=O)c1cc(C)c(Cl)cc1C)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
HTR6 P50406 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP30 Q70CQ3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SGK1 O00141 1/20 0.33
ABHD6 Q9BV23 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 SCHEMBL1626880 0.99 HTR2C (0.36) HTR2CHTR2BHTR6PKMSMN1; SMN2
SCHEMBL14237022 0.90 HTR2C (0.37) HTR2CHTR2BL3MBTL1HTR2A
SCHEMBL14237013 0.90 L3MBTL1 (0.36) HTR6PKMSMN1; SMN2USP30L3MBTL1
Hydrochloric Acid SCHEMBL1627537 0.89 HTR2C (0.36) HTR2CHTR2BL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL4894448 0.89 L3MBTL1 (0.36) HTR6PKMSMN1; SMN2USP30L3MBTL1
SCHEMBL14237118 0.89 KMT2A (0.35) HTR6
SCHEMBL14237115 0.88 HTR6 (0.39) HTR2CHTR2BHTR6USP30DRD1
Hydrochloric Acid SCHEMBL1628038 0.87 HTR6 (0.38) HTR2CHTR2BHTR6USP30DRD1
SCHEMBL14237116 0.87 HTR6 (0.38) HTR2CHTR2BHTR6USP30DRD1
Hydrochloric Acid SCHEMBL1628011 0.87 HTR6 (0.37) HTR2CHTR2BHTR6USP30HTR2A

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 1 patent. 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