SCHEMBL9762999

SCHEMBL9762999

CC(C)(C)OC(=O)CCc1csc(CCN)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
STING1 Q86WV6 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MIF P14174 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
FFAR1 O14842 1/20 0.30
AOC3 Q16853 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL9326099 0.77 CYP4F2 (0.44) NR1H2NR1H3
Hydrochloric Acid SCHEMBL7594644 0.76 TDP1 (0.44) NR1H2NR1H3
SCHEMBL10977227 0.75 CYP4F2 (0.41) MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL13269643 0.74 DAO (0.53) STING1FFAR1DAO
SCHEMBL13141316 0.72 MAPT (0.40) AOC3DAO
SCHEMBL10982252 0.71 CYP4F2 (0.50) MTNR1AMTNR1BNR1H2NR1H3FFAR1
SCHEMBL9762994 0.71 APP (0.40)
SCHEMBL7322522 0.71 CYP4F2 (0.44) NR1H2NR1H3
SCHEMBL15608606 0.71 CYP4F2 (0.44) MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL38658706 0.71 MTNR1A (0.39) STING1HDAC8MTNR1AMTNR1BMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed