SCHEMBL9257923

SCHEMBL9257923

CN(C)C(=O)Cc1c(-c2ccccc2)nc2n(C)c3ccc(Cl)cc3n12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.46
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ MAT2A P31153 2/20 0.42
▸ NR4A2 P43354 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL9265963 0.96 TSPO (0.46) TSPOGABRA2GABRB2SLC2A1MAT2A
SCHEMBL9261406 0.89 KDM4E (0.43) GABRA2GABRB2HPGDKDM4EADORA2B
SCHEMBL9264676 0.88 GABRA1 (0.46) GABRA2GABRB2NR4A2HPGDKDM4E
SCHEMBL9264404 0.87 KDM4E (0.41) GABRA2GABRB2SLC2A1KDM4EADORA2B
SCHEMBL9261917 0.87 GABRA1 (0.47) TSPOGABRA2GABRB2HPGDKDM4E
SCHEMBL9258447 0.86 NR4A2 (0.43) GABRA2GABRB2NR4A2HPGDKDM4E
SCHEMBL9264565 0.85 ADORA2B (0.42) MAT2AKDM4EADORA2B
SCHEMBL9262280 0.85 KDM4E (0.46) GABRA2GABRB2HPGDKDM4EADORA2B
SCHEMBL9261380 0.81 MAPT (0.41) MAT2AKDM4EADORA2B
SCHEMBL9263087 0.81 GABRA1 (0.54) TSPOGABRA2GABRB2NR4A2HPGD

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-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 — — US disclosed
EP-0607076-A1 9H-Imidazo 1,2-a benzimidazole derivatives with GABA activity SYNTHELABO (FR) 1994-07-20 — — EP disclosed
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