SCHEMBL6638415

SCHEMBL6638415

CCCCCCC(C)(N)c1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
CNR1 P21554 6/20 0.35
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TNNC1 P63316 5/20 0.33
S1PR1 P21453 2/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL6634824 0.87 TAAR1 (0.31)
SCHEMBL6640070 0.86 SCN5A (0.36) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL6638676 0.84 SCN5A (0.34) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL28042786 0.80 CNR2 (0.42) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL7140655 0.80 TAAR1 (0.36)
SCHEMBL14938729 0.80 CNR2 (0.42) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL6634536 0.79 ESR1 (0.33)
Hydrochloric Acid SCHEMBL631052 0.78 CNR2 (0.41) CNR2CNR1SCN5ASCN9AEBP
Hydrochloric Acid SCHEMBL2313873 0.78 CNR2 (0.41) CNR2CNR1SCN5ASCN9AEBP
Hydrochloric Acid SCHEMBL16166619 0.78 CNR2 (0.41) CNR2CNR1SCN5ASCN9AEBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP claimed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US claimed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed