SCHEMBL8798576

SCHEMBL8798576

COc1ccccc1C1CN(C(=O)C2CCc3nc[nH]c3C2)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.51
ADRA1D P25100 1/20 0.51
HTR3A P46098 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8798568 0.93 ADRA1A (0.44) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8543708 0.87 ADRA1A (0.43) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8540944 0.82 HTR3A (0.43) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8542709 0.81 HTR3A (0.41) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8543700 0.80 ADRA1A (0.36) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8540950 0.79 ADRA1A (0.55) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8544447 0.79 HTR3A (0.45) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL8540932 0.78 ADRA1A (0.54) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL8538937 0.78 HTR3A (0.44) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8479745 0.78 ADRA1A (0.48) ADRA1AADRA1DHTR3AADRA2AADRA2B

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-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP disclosed