SCHEMBL21078124

SCHEMBL21078124

IC1=CCN(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
LMNA P02545 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
DRD4 P21917 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 2/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRNB2 P17787 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28553118 0.79 MAPT (0.39) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL17888252 0.76 CHRNA7 (0.46) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL11834602 0.76 CHRNA7 (0.41) CHRNA7SIGMAR1LMNAHTR3EHTR3B
Hydrochloric Acid SCHEMBL1596638 0.74 DRD4 (0.50) SIGMAR1DRD4DRD2ALOX15HTR1A
SCHEMBL13945550 0.72 ALDH1A1 (0.42) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL7516695 0.72 CHRNA7 (0.42) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL8780579 0.71 LTA4H (0.44) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL10263391 0.71 LMNA (0.58) SIGMAR1LMNADRD4MEN1POLB
SCHEMBL1889513 0.70 LMNA (0.46) CHRNA7SIGMAR1LMNAHTR3EHTR3B
SCHEMBL164538 0.67 LMNA (0.67) CHRNA7SIGMAR1LMNAHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed