SCHEMBL3922142

SCHEMBL3922142

O=C1CCC2C(=Nc3ccccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.40
NOS3 P29474 5/20 0.40
NOS2 P35228 5/20 0.40
DDB1 Q16531 4/20 0.34
CRBN Q96SW2 4/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADRA1A P35348 1/20 0.33
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.32
ANPEP P15144 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
SCHEMBL9559207 0.77 NOS1 (0.47) NOS1NOS3NOS2ADRA1A
SCHEMBL5518924 0.76 NOS1 (0.41) NOS1NOS3NOS2DDB1CRBN
SCHEMBL30074503 0.75 NOS1 (0.50) NOS1NOS3NOS2ADRA1A
SCHEMBL145755 0.75 NOS1 (0.50) NOS1NOS3NOS2ADRA1A
SCHEMBL27199706 0.70 NOS1 (0.38) NOS1NOS3NOS2
SCHEMBL1012779 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A
SCHEMBL16115899 0.69 NOS1 (0.44) NOS1NOS3NOS2
SCHEMBL29357835 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A
SCHEMBL165957 0.69 NOS1 (0.42) NOS1NOS3NOS2ADRA1A
SCHEMBL441521 0.68 NOS1 (0.39) NOS1NOS3NOS2DDB1CRBN

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
EP-1828141-A4 A ONE-POT PROCESS FOR THE PREPARATION OF ANTIEMETIC AGENT, 1,2,3,9-TETRAHYDRO-9-METHYL-3[(2-METHYL)-1H-IMIDAZOLE-1-YL)METHYL]-4H-CARBAZOL-4-O IPCA LAB LTD (IN) 2009-04-01 EP disclosed
EP-1828141-A1 A ONE-POT PROCESS FOR THE PREPARATION OF ANTIEMETIC AGENT, 1,2,3,9-TETRAHYDRO-9-METHYL-3[(2-METHYL)-1H-IMIDAZOLE-1-YL)METHYL]-4H-CARBAZOL-4-O IPCA Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006046253-A1 A ONE-POT PROCESS FOR THE PREPARATION OF ANTIEMETIC AGENT, 1,2,3,9-TETRAHYDRO-9-METHYL-3[(2-METHYL)-1H-IMIDAZOLE-1-YL)METHYL]-4H-CARBAZOL-4-O IPCA LABORATORIES LIMITED (IN) 2006-05-04 WO disclosed