SCHEMBL7276892

SCHEMBL7276892

CC1Oc2c(C(=O)OC3CN4CCC3CC4)cc(Cl)cc2N(C)C1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR3A P46098 2/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL7279005 0.83 GLA (0.49) GLATSHRRXFP1HTR3AHTR2A
SCHEMBL7270543 0.80 HTR3A (0.64) TSHRHTR3AHTR2ASLC6A4HRH1
SCHEMBL7270927 0.80 GLA (0.52) GLATSHRRXFP1HTR3AHTR2A
SCHEMBL7359845 0.67 GLA (0.49) GLATSHRRXFP1HTR3AKCNH2
SCHEMBL7360473 0.67 GLA (0.49) GLATSHRRXFP1HTR3AKCNH2
SCHEMBL7276342 0.67 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7270890 0.66 HTR3A (0.48) HTR3AKCNH2MEN1KMT2A
SCHEMBL8935124 0.65 CHRNA7 (0.60) GLATSHRRXFP1HTR3AHTR3E
SCHEMBL7271162 0.65 SLC6A12 (0.56) HTR3AHTR2APDE4DKCNH2CYP1A2
SCHEMBL7270046 0.65 HTR3A (0.65) TSHRHTR3AHTR2ASLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed