SCHEMBL8025613

SCHEMBL8025613

CCN(CC)C(CO)c1cccc2c1cc(-c1ccccc1)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.41
SLC2A1 P11166 1/20 0.39
EGFR P00533 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.33
F2R P25116 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
APP P05067 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
SCHEMBL8015495 0.82 CYP1A2 (0.34) HSD17B10
SCHEMBL8015412 0.81 DHFR (0.37)
SCHEMBL8027733 0.73 KDM4E (0.43) HPGDKMT2AALDH1A1HSD17B10NPSR1
SCHEMBL8015774 0.68 KMT2A (0.39) HPGDKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12279026 0.66 HPGD (0.61) HPGDKMT2ASLC2A1ALDH1A1HSD17B10
SCHEMBL7210617 0.65 PDE10A (0.43) HPGDKMT2AALDH1A1KDM4EMAPT
SCHEMBL7118786 0.65 PARP1 (0.43) KMT2AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5403210 0.64 NR1H2 (0.48) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL1429109 0.64 HPGD (0.54) HPGDKMT2ASLC2A1EGFRALDH1A1
SCHEMBL9386193 0.62 HPGD (1.00) HPGDKMT2AALDH1A1HSD17B10SMN1; SMN2

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