SCHEMBL7329892

SCHEMBL7329892

Clc1cccc2c1c(N1CCOCC1)nc1c(-c3nc(C4CC4)no3)ncn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 3/20 0.37
POLB P06746 2/20 0.36
USP30 Q70CQ3 1/20 0.36
HTR4 Q13639 2/20 0.35
PDE10A Q9Y233 1/20 0.33
CNR2 P34972 2/20 0.33
LRRK2 Q5S007 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3R2 O00459 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
RORC P51449 1/20 0.31
HSD11B1 P28845 1/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL9404420 0.91 MAPT (0.37) KDM4EALDH1A1GAAOPRK1POLB
SCHEMBL9404361 0.90 HTR4 (0.35) KDM4EALDH1A1GAAOPRK1POLB
SCHEMBL9404338 0.90 USP7 (0.38) HTR4CNR2
SCHEMBL9430270 0.89 OPRK1 (0.41) GAAOPRK1POLBUSP30HTR4
SCHEMBL9404293 0.89 USP30 (0.38) KDM4EALDH1A1GAAOPRK1POLB
SCHEMBL9404451 0.89 OPRK1 (0.37) KDM4EALDH1A1GAAOPRK1POLB
SCHEMBL9404486 0.88 OPRK1 (0.37) KDM4EALDH1A1GAAOPRK1USP30
SCHEMBL9404490 0.86 OPRK1 (0.35) KDM4EALDH1A1OPRK1POLBUSP30
SCHEMBL9404441 0.86 HTR3E (0.37) KDM4EALDH1A1HTR4SMN1; SMN2
SCHEMBL9430389 0.86 HTR4 (0.36) ALDH1A1OPRK1HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP claimed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US claimed
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP disclosed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
US-5276028-A Psychological disorders, anticonvulsants, anxiolytic or hypnotics and cognition activators NORDISK A/S (DK) 1994-01-04 US disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed
WO-1992000298-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-09 WO disclosed