SCHEMBL7480733

SCHEMBL7480733

ICCOCCOCCNCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
MAOA P21397 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
CHRM2 P08172 1/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11179375 0.91 TDP1 (0.67) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL893830 0.91 TDP1 (0.67) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL6660880 0.82 DRD4 (0.56) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL21657446 0.82 KDM4E (0.59) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL21657638 0.82 DRD4 (0.56) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL4406338 0.80 DRD4 (0.58) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL176947 0.79 MEN1 (0.61) DRD4MEN1KMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL29484777 0.79 DRD4 (0.56) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL14318340 0.78 MEN1 (0.73) DRD4MEN1KMT2ATDP1MAOA
SCHEMBL21657637 0.78 KDM4E (0.59) DRD4MEN1KMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US disclosed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO disclosed