SCHEMBL8015776

SCHEMBL8015776

CCN(CC)C(O)Cc1cccc2[nH]c(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
ABCB11 O95342 1/20 0.40
ADRA2A P08913 1/20 0.40
PTGS1 P23219 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
HTR6 P50406 1/20 0.33
NQO2 P16083 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
SCHEMBL14531557 0.75 DAO (0.60) DAODDOHTR1ASLC6A2ABCB11
SCHEMBL8015774 0.72 KMT2A (0.39) DAODDOHTR1ASLC6A2ABCB11
SCHEMBL14319825 0.71 CYP3A4 (0.49) DAODDOHTR1ASLC6A2ABCB11
SCHEMBL5728764 0.71 GAA (0.46) DAODDOHTR1ASLC6A2ABCB11
SCHEMBL30183287 0.70 HTR2A (0.57) HTR1ASLC6A2ADRA2AGAALMNA
SCHEMBL990558 0.69 KDM4E (0.50) DAODDOGAACYP1A2RXFP1
SCHEMBL8406550 0.69 GLA (0.34) CYP2D6
SCHEMBL8505960 0.68 GLA (0.36) CYP2D6KDM4E
SCHEMBL7774860 0.66 KMT2A (0.38) MEN1KMT2ACYP2D6KDM4EMAPK1
SCHEMBL8405997 0.65

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