SCHEMBL14908003

SCHEMBL14908003

Cc1ccc(C)c([C@@H](C)CCN(C(C)C)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.51
LMNA P02545 3/20 0.51
CHRM2 P08172 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM3 P20309 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1A P35348 2/20 0.51
ESR1 P03372 1/20 0.51
CHRM4 P08173 1/20 0.51
MAPT P10636 1/20 0.51
KCNE1 P15382 1/20 0.51
PTGS1 P23219 1/20 0.51
HRH2 P25021 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRK1 P41145 1/20 0.51
KCNQ1 P51787 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN5A Q14524 1/20 0.51

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
SCHEMBL2615242 0.83 CHRM1 (0.49) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL13196104 0.80 HRH1 (0.75) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL13760219 0.80 HRH1 (0.75) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL8985501 0.75 PDE5A (0.40) CHRM1LMNAADRA1AKCNH2SRC
SCHEMBL27391010 0.74 TSHR (0.42) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL4662568 0.73 CHRM1 (0.81) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL8750430 0.72 SRC (0.36) CHRM1LMNAADRA1ASRCPOLB
SCHEMBL8766798 0.72 SRC (0.45) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL22425523 0.72 SRC (0.33) CHRM1LMNACHRM2CHRM5CHRM3
SCHEMBL7813526 0.71 KMT2A (0.50) LMNAPOLBKMT2AALDH1A1CYP2C19

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-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed