SCHEMBL8563449

SCHEMBL8563449

COC(=O)CCC1(c2ccccc2)CNC(=O)N1c1ccc2c(c1)CCNC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
ASIC3 Q9UHC3 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
SYK P43405 1/20 0.33
NOTUM Q6P988 1/20 0.32
ROCK2 O75116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL8563028 0.94 HTR6 (0.37) HTR6NOTUM
Hydrochloric Acid SCHEMBL8559380 0.94 HTR6 (0.36) HTR6NOTUM
SCHEMBL8566144 0.90 PTGER1 (0.34) HTR6ASIC3PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL8557445 0.89 PTGER1 (0.35) HTR6ASIC3PARP1PARP2PARP3
SCHEMBL8559515 0.87 HTR6 (0.39) HTR6NOTUM
Hydrochloric Acid SCHEMBL8563487 0.86 HTR6 (0.39) HTR6NOTUM
SCHEMBL8558612 0.85 NOTUM (0.36) HTR6NOTUM
Hydrochloric Acid SCHEMBL8565214 0.84 NOTUM (0.36) HTR6NOTUM
Hydrochloric Acid SCHEMBL8559768 0.80 ALDH1A1 (0.36) HTR6
SCHEMBL8560509 0.78 TMEM97 (0.42) HTR6NOTUM

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