SCHEMBL6529704

SCHEMBL6529704

CN1CC[C@@H](c2cn(C(=O)c3ccccc3)c3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.51
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
ALOX5 P09917 1/20 0.46
ATM Q13315 1/20 0.45
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6532387 1.00 HTR6 (0.51) HTR6KMT2AKDM4EALDH1A1THRB
SCHEMBL6529706 1.00 HTR6 (0.51) HTR6KMT2AKDM4EALDH1A1THRB
SCHEMBL7491511 0.93 HTR6 (0.53) HTR6KMT2AKDM4EALDH1A1THRB
SCHEMBL6965309 0.87 DYRK1A (0.45) HTR6KDM4EALOX5ATM
SCHEMBL7484514 0.83 KMT2A (0.53) HTR6KMT2AALDH1A1ATMPTGS2
SCHEMBL6965222 0.79 HTR6 (0.36) HTR6KMT2AKDM4EALDH1A1THRB
SCHEMBL7482377 0.79 HTR6 (0.48) HTR6KMT2AMEN1
SCHEMBL7491819 0.79 HTR6 (0.43) HTR6KMT2APTGS2MEN1
SCHEMBL7479507 0.79 KCNH2 (0.44) HTR6KMT2AALOX5PTGS2MEN1
SCHEMBL6965218 0.79 HTR6 (0.36) HTR6KMT2AKDM4EALDH1A1THRB

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
WO-2005066157-A1 3-(PYROLIDIN-3-L) INDOLES AS 5-HT6 RECEPTOR MODULATORS SUVEN LIFE SCIENCES (IN) 2005-07-21 WO claimed