SCHEMBL9570757

SCHEMBL9570757

Cn1cc(C(=O)C2CCc3cncn3C2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.53
ADRA2B P18089 3/20 0.53
HTR3A P46098 2/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
RAB9A P51151 2/20 0.42
NR4A2 P43354 1/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 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
Fumaric Acid SCHEMBL8985215 0.94 ADRA2A (0.48) ADRA2AADRA2BHTR3AADRA2CSLC6A4
Fumaric Acid SCHEMBL8985218 0.94 ADRA2A (0.48) ADRA2AADRA2BHTR3AADRA2CSLC6A4
SCHEMBL27249969 0.77 NPSR1 (0.59) ADRA2AADRA2BHTR3AADRA2CSLC6A4
SCHEMBL27249980 0.70 HTR3A (0.53) ADRA2AADRA2BHTR3AADRA2CSLC6A4
SCHEMBL8985190 0.70 NOTUM (0.36) ALDH1A1KMT2AMEN1
SCHEMBL9260935 0.69 HTR3A (0.43) ADRA2AADRA2BHTR3AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL8985242 0.69 NOTUM (0.35) ALDH1A1KMT2AMEN1
Ramosetron SCHEMBL13531398 0.69 HTR3A (0.84) ADRA2AADRA2BHTR3AADRA2CSLC6A4
Ramosetron SCHEMBL9048395 0.69 HTR3A (0.84) ADRA2AADRA2BHTR3AADRA2CSLC6A4
Ramosetron SCHEMBL16701 0.69 HTR3A (0.84) ADRA2AADRA2BHTR3AADRA2CSLC6A4

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-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP claimed