SCHEMBL14237012

SCHEMBL14237012

Cc1cc(S(=O)(=O)C(C2CCNCC2)N2CCc3ccccc3C2)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
KMT2A Q03164 3/20 0.35
P2RX7 Q99572 2/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
PLAT P00750 1/20 0.34
RECQL P46063 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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 SCHEMBL1625924 0.99 HTR6 (0.36) HTR6KMT2AP2RX7KDM4EUSP2
SCHEMBL14237118 0.89 KMT2A (0.35) HTR6KMT2AP2RX7NPSR1LMNA
SCHEMBL14237013 0.88 L3MBTL1 (0.36) HTR6KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4894448 0.87 L3MBTL1 (0.36) HTR6KMT2AALDH1A1
SCHEMBL14237057 0.86 SLC6A2 (0.34) HTR6KMT2AKDM4EUSP2ALDH1A1
SCHEMBL14237041 0.86 MAPT (0.39) HTR6KMT2AKDM4EALDH1A1MAPT
SCHEMBL14237048 0.86 HTR6 (0.39) HTR6KMT2AALDH1A1MAPTLMNA
SCHEMBL14237106 0.85 KMT2A (0.38) HTR6KMT2AKDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL1627696 0.85 MAPT (0.38) HTR6KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL1625086 0.85 SLC6A2 (0.36) HTR6KDM4EUSP2ALDH1A1MAPT

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