SCHEMBL7328593

SCHEMBL7328593

CCN(C)c1nc(Cl)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.63
EGFR P00533 1/20 0.54
PDGFRB P09619 1/20 0.54
KDR P35968 1/20 0.54
PDE5A O76074 2/20 0.47
ACP1 P24666 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.44
PRMT5 O14744 1/20 0.44
MAT2A P31153 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL8375458 0.85 ACP1 (0.64) GBA1EGFRPDGFRBKDRACP1
SCHEMBL1084629 0.82 EGFR (0.59) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL17800052 0.81 GBA1 (0.58) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL9430149 0.81 MAT2A (0.51) GBA1CYP1A2PRMT5MAT2AKDM4E
SCHEMBL3122164 0.81 EGFR (0.51) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL30960992 0.81 EGFR (0.51) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL13413604 0.79 GAA (0.59) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL18354103 0.78 GBA1 (1.00) GBA1EGFRPDGFRBKDRALDH1A1
SCHEMBL3110618 0.78 EGFR (0.76) GBA1EGFRPDGFRBKDRPDE5A
SCHEMBL29909096 0.78 EGFR (0.76) GBA1EGFRPDGFRBKDRPDE5A

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 5 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 disclosed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
US-5276028-A Psychological disorders, anticonvulsants, anxiolytic or hypnotics and cognition activators NORDISK A/S (DK) 1994-01-04 US disclosed
EP-0535104-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1993-04-07 EP disclosed
WO-1992000298-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-09 WO disclosed