SCHEMBL8015774

SCHEMBL8015774

CCN(CC)C(CO)c1cccc2[nH]c(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
OPRK1 P41145 2/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2A P08913 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
DAO P14920 1/20 0.32
DDO Q99489 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
SCHEMBL8015776 0.72 DAO (0.40) KMT2AOPRK1HTR1ASLC6A2ABCB11
SCHEMBL24804024 0.72 CYP1A2 (0.47) HTR1ASLC6A2ABCB11ADRA2APTGS1
SCHEMBL8015495 0.71 CYP1A2 (0.34) CYP1A2HSD17B10TSHR
SCHEMBL24102936 0.71 GAA (0.46) HTR1ASLC6A2ABCB11ADRA2APTGS1
SCHEMBL8027733 0.70 KDM4E (0.43) KMT2ACYP1A2RXFP1LMNAMEN1
SCHEMBL25134416 0.69 GAA (0.44) KMT2AHTR1ASLC6A2ABCB11ADRA2A
SCHEMBL8025613 0.68 HPGD (0.44) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL8039874 0.68
SCHEMBL8015412 0.68 DHFR (0.37)
SCHEMBL6755000 0.67 GAA (0.42) KMT2AHTR1ASLC6A2ABCB11ADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000061554-A1 1-AMINO ETHYLINDOLE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE SANOFI-SYNTHELABO (FR) 2000-10-19 WO claimed
WO-2000061554-A1 1-AMINO ETHYLINDOLE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE SANOFI-SYNTHELABO (FR) 2000-10-19 WO disclosed