SCHEMBL3907398

SCHEMBL3907398

Cc1cc(N(C)C)cc(C)c1-c1cccc2nc3ccccc3c(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
DHODH Q02127 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
KDM1A O60341 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MYC P01106 1/20 0.37

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
SCHEMBL3904685 0.85 PDE10A (0.46) PDE10AKMT2ANPC1RAB9ATSHR
SCHEMBL3900538 0.84 MAPT (0.45) PDE10AKMT2ANPC1RAB9ATSHR
SCHEMBL7047836 0.80 PDE10A (0.43) PDE10AKMT2ANPC1RAB9ATSHR
SCHEMBL7590081 0.76 PDE10A (0.58) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL3898412 0.75 RAB9A (0.58) PDE10AKMT2ANPC1RAB9ADHODH
SCHEMBL4413030 0.75 RAB9A (0.39) PDE10AKMT2ANPC1RAB9ATSHR
SCHEMBL10476973 0.75 DHODH (0.54) PDE10AKMT2ANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL9842693 0.75 PDE10A (0.57) PDE10AKMT2ATSHRDHODHMEN1
SCHEMBL7049387 0.72 DHODH (0.51) PDE10AKMT2ANPC1RAB9ATSHR
SCHEMBL29112020 0.71 KMT2A (0.43) PDE10AKMT2ANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed
US-5281712-A Ammonium substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-01-25 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed