SCHEMBL8798985

SCHEMBL8798985

Cc1cccc(C2CN(C(=O)C3CCc4[nH]cnc4C3)c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.35
HTR3A P46098 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ADRA1A P35348 5/20 0.34
ADRA1D P25100 1/20 0.32
DRD1 P21728 2/20 0.32
KDM4E B2RXH2 2/20 0.32
KIF11 P52732 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL8525220 0.90 IDH1 (0.36) IDH1HTR3AADRA2AADRA2BADRA2C
SCHEMBL8479741 0.90 ADRA1A (0.40) IDH1HTR3AADRA2AADRA2BADRA2C
SCHEMBL8542703 0.89 IDH1 (0.35) IDH1HTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8540899 0.89 IDH1 (0.35) IDH1HTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8538095 0.89 ADRA1A (0.40) IDH1HTR3AADRA2AADRA2BADRA2C
SCHEMBL8540946 0.89 ADRA1A (0.48) IDH1HTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8540928 0.88 ADRA1A (0.47) IDH1HTR3AADRA2AADRA2BADRA2C
SCHEMBL8538941 0.85 IDH1 (0.38) IDH1HTR3AADRA2AADRA2BADRA2C
SCHEMBL8540938 0.84 IDH1 (0.37) IDH1HTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8539594 0.84 IDH1 (0.37) IDH1HTR3AADRA2AADRA2BADRA2C

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