SCHEMBL8565811

SCHEMBL8565811

CC(C)OC(=O)CCC1(c2ccccc2)CNC(=O)N1c1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
HTR6 P50406 1/20 0.38
TMEM97 Q5BJF2 5/20 0.34
SIGMAR1 Q99720 5/20 0.34
DRD5 P21918 8/20 0.33
DRD2 P14416 7/20 0.33
DRD1 P21728 7/20 0.33
DRD4 P21917 7/20 0.33
DRD3 P35462 7/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1E P28566 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
Hydrochloric Acid SCHEMBL8562261 0.99 NOTUM (0.40) NOTUMHTR6TMEM97SIGMAR1DRD5
SCHEMBL8558612 0.91 NOTUM (0.36) NOTUMHTR6DRD5DRD2DRD1
Hydrochloric Acid SCHEMBL8565214 0.90 NOTUM (0.36) NOTUMHTR6DRD5DRD2DRD1
SCHEMBL8559515 0.90 HTR6 (0.39) NOTUMHTR6TMEM97SIGMAR1DRD5
Hydrochloric Acid SCHEMBL8563487 0.89 HTR6 (0.39) NOTUMHTR6TMEM97SIGMAR1DRD5
SCHEMBL8560509 0.88 TMEM97 (0.42) NOTUMHTR6TMEM97SIGMAR1HRH3
Hydrochloric Acid SCHEMBL8561493 0.88 TMEM97 (0.42) NOTUMHTR6TMEM97SIGMAR1HRH3
Hydrochloric Acid SCHEMBL8559380 0.80 HTR6 (0.36) NOTUMHTR6DRD5DRD2DRD1
Hydrochloric Acid SCHEMBL8557445 0.78 PTGER1 (0.35) HTR6
SCHEMBL8563449 0.78 HTR6 (0.36) NOTUMHTR6

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
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed