SCHEMBL4668093

SCHEMBL4668093

N#CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 3/20 0.52
TP53 P04637 1/20 0.50
TACR3 P29371 6/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
TACR2 P21452 1/20 0.43
FAAH O00519 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL4668167 0.94 LMNA (0.74) LMNATP53TACR3CNR1NPC1
SCHEMBL4665602 0.83 LMNA (0.57) LMNATP53TACR3TACR2
SCHEMBL3870523 0.83 LMNA (0.65) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL16553849 0.82 LMNA (0.67) LMNAL3MBTL1TP53TACR3CNR1
Hydrochloric Acid SCHEMBL5499021 0.82 LMNA (0.64) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL5047970 0.82 LMNA (0.67) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL5049830 0.82 LMNA (0.67) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5045806 0.81 LMNA (0.66) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL4667123 0.81 LMNA (0.66) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL5045993 0.81 LMNA (0.66) LMNAL3MBTL1TP53TACR3CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 WO claimed
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 WO disclosed