SCHEMBL10519086

SCHEMBL10519086

CNCC1(O)c2ccc(C#N)cc2CSc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR1 P32246 7/20 0.35
PDK2 Q15119 2/20 0.33
SLC6A4 P31645 2/20 0.32
GRIN2B Q13224 1/20 0.32
NAMPT P43490 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL10519242 0.92 LMNA (0.39) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10517641 0.83 LMNA (0.49) LMNAHTTNPSR1CCR1SLC6A4
SCHEMBL10518982 0.82 LMNA (0.38) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10517183 0.76 LMNA (0.41) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10518376 0.75 HSD17B3 (0.44) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10520758 0.71 PDK2 (0.36) CCR1PDK2SLC6A4
SCHEMBL10723665 0.68 LMNA (0.34) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10692616 0.67 TRPA1 (0.44) DRD2
SCHEMBL10518073 0.66 HTT (0.38) LMNAHTTNPSR1CCR1PDK2
SCHEMBL10517740 0.66 LMNA (0.46) LMNAHTTNPSR1CCR1PDK2

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
EP-0189078-B1 TRICYCLIC COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND METHOD OF TREATMENT THEREWITH AB LEO (SE) 1989-06-28 EP disclosed
US-4645758-A Urinary incontinence ameliorating dibenz- b,e- -oxepin and -thiepin derivatives, compositions, and method of use therefor AKTIEBOLAGET LEO (SE) 1987-02-24 US disclosed
EP-0189078-A1 Tricyclic compounds, compositions containing such compounds, processes for their preparation and method of treatment therewith AB LEO (SE) 1986-07-30 EP disclosed