SCHEMBL8416995

SCHEMBL8416995

COC(=O)CCC1CN(c2ccc(C#N)cc2)C(=O)N1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP14 P54578 4/20 0.37
HSD11B1 P28845 3/20 0.37
HSD11B2 P80365 1/20 0.37
AR P10275 1/20 0.37
GRM2 Q14416 1/20 0.36
MAPT P10636 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL8573438 0.81 CTSG (0.40) GRM2MAPTCYP11B1CYP11B2HTT
Hydrochloric Acid SCHEMBL8571485 0.80 CTSG (0.39) GRM2MAPTCYP11B1CYP11B2HTT
SCHEMBL8574854 0.78 TSHR (0.37) TSHR
SCHEMBL8575669 0.76 CTSG (0.39) GRM2MAPTCYP11B1CYP11B2HTT
SCHEMBL8573886 0.76 HDAC1 (0.40) CYP11B1CYP11B2HDAC1HDAC8HDAC6
SCHEMBL7392595 0.73 PPARG (0.40) USP14ARGRM2CYP11B1CYP11B2
SCHEMBL7392598 0.73 PPARG (0.40) USP14ARGRM2CYP11B1CYP11B2
SCHEMBL7275047 0.73 CHRM4 (0.37) USP14ARCYP11B1CYP11B2HRH3
SCHEMBL8571333 0.73 PKM (0.38) GRM2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8413871 0.71 GAA (0.40) MAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed