SCHEMBL8027733

SCHEMBL8027733

CCN(CC)C(CO)c1cccc2c1cc(C)n2CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NSD2 O96028 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
HBB P68871 1/20 0.32
PTGER4 P35408 1/20 0.32
LMNA P02545 4/20 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 0.85 CYP1A2 (0.34) HSD17B10TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL8015412 0.76 DHFR (0.37)
SCHEMBL8025613 0.73 HPGD (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8914305 0.70 KDM4E (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8015774 0.70 KMT2A (0.39) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL19657006 0.66 ALDH1A1 (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8038415 0.65 ABL1 (0.31)
SCHEMBL7774855 0.64 KMT2A (0.38) KDM4EMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL8038003 0.64 ABL1 (0.30)
SCHEMBL8039874 0.63

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