SCHEMBL9823907

SCHEMBL9823907

CC1(CCCN(Cc2ccccc2)Cc2ccccc2)CC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MAOB P27338 6/20 0.39
MAOA P21397 2/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
PARP1 P09874 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9251968 0.78 TSHR (0.50) TSHRNPSR1
SCHEMBL11530675 0.70 HDAC3 (0.40) TSHRNPSR1HDAC3HDAC1HDAC2
SCHEMBL11795941 0.68 HDAC3 (0.56) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL4974601 0.68 HDAC3 (0.61) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL9824431 0.68 TSHR (0.57) TSHRNPSR1
SCHEMBL14660479 0.67 TSHR (0.52) TSHRNPSR1DDB1CRBN
SCHEMBL22482041 0.67 HDAC3 (0.46) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL9304202 0.67 SIGMAR1 (0.46) MAOBACHESIGMAR1
SCHEMBL9824805 0.66 TSHR (0.55) TSHRNPSR1
Hydrochloric Acid SCHEMBL9824043 0.66 TSHR (0.55) TSHRNPSR1

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
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed