SCHEMBL3244944

SCHEMBL3244944

C=CCN1C[C@@H](OC)C[C@H](C(=O)OC)[C@@H]1C1Cc2ccccc2N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
LMNA P02545 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
SCHEMBL3244846 0.83 HTR1A (0.40) HTR1ADRD2DRD4
SCHEMBL3244851 0.83 HTR1A (0.40) HTR1ADRD2DRD4
SCHEMBL3244940 0.71 DRD2 (0.37) HTR1ADRD2DRD4
SCHEMBL3243831 0.70 KMT2A (0.44) DRD2DRD4LMNA
SCHEMBL3246780 0.67 CYP3A4 (0.41) DRD2DRD4LMNA
SCHEMBL3246762 0.67 CYP3A4 (0.41) DRD2DRD4LMNA
SCHEMBL17442799 0.66 DRD2 (0.55) DRD2DRD4LMNA
SCHEMBL29723776 0.63 NOTUM (0.51) LMNA
SCHEMBL7549846 0.63 DRD2 (0.53) DRD2DRD4
SCHEMBL3832260 0.63 CYP3A4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed