SCHEMBL725536

SCHEMBL725536

Cc1ccc(OC(=O)C(C)C)c(CCCc2cccc(N(C(C)C)C(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
ADRB2 P07550 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
ATM Q13315 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
LTB4R Q15722 2/20 0.35

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
SCHEMBL434111 0.90 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL1158253 0.88 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL16166428 0.87 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL724700 0.87 ADRB2 (0.39) PTGER1PTGER4PTGER3PTGER2ADRB2
SCHEMBL7755007 0.87 ADRB2 (0.41) PTGER1PTGER4PTGER3PTGER2ADRB2
SCHEMBL3772824 0.85 ADRB2 (0.40) PTGER1PTGER4PTGER3PTGER2ADRB2
SCHEMBL11301932 0.85 ADRB2 (0.38) PTGER1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL4660356 0.82 ESR1 (0.35) PTGER1PTGER4PTGER3PTGER2ADRB2
SCHEMBL3721174 0.80 IGF1R (0.39) PTGER1PTGER4PTGER3PTGER2ADRA1A
SCHEMBL7755565 0.78 SLC6A2 (0.41) ADRB2KMT2APOLBCYP4F2CYP4A11

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-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed