SCHEMBL13994397

SCHEMBL13994397

CCC(=O)CN(CC)[C@H](C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALOX5 P09917 1/20 0.45
MTOR P42345 1/20 0.41
OPRD1 P41143 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL27168282 0.86 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13993964 0.81 PGR (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL529713 0.80 SIGMAR1 (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13994249 0.79 ADRA2B (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL16656809 0.77 ALOX5 (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27168281 0.72 ALOX5 (0.47) PGRADRA2AADRA2BHTR2AHRH1
Isopropylbenzene SCHEMBL27508655 0.72 CRHBP (0.56) LMNASMN1; SMN2CYP2D6ALDH1A1MAPT
SCHEMBL29582293 0.72 TP53 (0.48) ALOX5SMN1; SMN2CYP2D6ALDH1A1MAPT
SCHEMBL2479871 0.72 ALOX5 (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL15131012 0.72 HRH1 (0.57) PGRADRA2AADRA2BHTR2AHRH1

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
US-7462592-B2 Compositions and methods for polynucleotide delivery NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-09 US disclosed