SCHEMBL8540946

SCHEMBL8540946

COc1cccc(C2CN(C(=O)C3CCc4[nH]cnc4C3)c3ccccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.48
GID4 Q8IVV7 1/20 0.38
ADRA1D P25100 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR3A P46098 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
IDH1 O75874 1/20 0.34

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
Hydrochloric Acid SCHEMBL8540928 0.99 ADRA1A (0.47) ADRA1AGID4ADRA1DDDB1CRBN
SCHEMBL8540950 0.93 ADRA1A (0.55) ADRA1AGID4ADRA1DDDB1CRBN
Hydrochloric Acid SCHEMBL8540932 0.92 ADRA1A (0.54) ADRA1AGID4ADRA1DDDB1CRBN
SCHEMBL8798985 0.89 IDH1 (0.35) ADRA1AADRA1DMEN1KMT2AHTR3A
SCHEMBL8525220 0.88 IDH1 (0.36) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL8479741 0.87 ADRA1A (0.40) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8542703 0.87 IDH1 (0.35) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8540899 0.87 IDH1 (0.35) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8538095 0.86 ADRA1A (0.40) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL8538941 0.83 IDH1 (0.38) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP claimed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US claimed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP claimed
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
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
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP disclosed