SCHEMBL7440085

SCHEMBL7440085

CCC1(Cc2ccccc2)CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
GAA P10253 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL7436417 0.86 L3MBTL1 (0.46) ELANEGAADDB1CRBNNPSR1
SCHEMBL7446018 0.81 L3MBTL1 (0.49) ELANEGAADDB1CRBNNPSR1
SCHEMBL7434514 0.79 GAA (0.47) ELANEGAADDB1CRBNL3MBTL1
SCHEMBL17925766 0.76 GAA (0.51) ELANEGAADDB1CRBNL3MBTL1
SCHEMBL7001651 0.72 MAPK1 (0.44) GAAMEN1KMT2APOLB
SCHEMBL5326926 0.72 GAA (0.46) ELANEGAADDB1CRBNL3MBTL1
SCHEMBL9687743 0.71 CHRM2 (0.46) ELANEGAADDB1CRBNNPSR1
SCHEMBL8882974 0.71 KMT2A (0.46) ELANEGAADDB1CRBNL3MBTL1
SCHEMBL7442378 0.71 ELANE (0.41) ELANEDDB1CRBNNPSR1L3MBTL1
SCHEMBL7443185 0.71 L3MBTL1 (0.48) ELANEGAADDB1CRBNNPSR1

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-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed