SCHEMBL3249870

SCHEMBL3249870

COC(=O)C1CCCN(C)C1C1Cc2cc(Cl)ccc2N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL3243831 0.85 KMT2A (0.44) MAPTSLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL3243682 0.82 MAPT (0.36) MAPTSLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL3244940 0.73 DRD2 (0.37) SLC6A4
SCHEMBL3244851 0.70 HTR1A (0.40) KMT2A
SCHEMBL3244846 0.70 HTR1A (0.40) KMT2A
SCHEMBL3240586 0.69 ALDH1A1 (0.39) KMT2ALMNAALDH1A1
SCHEMBL3243453 0.69 MEN1 (0.40) KMT2ALMNA
SCHEMBL3242670 0.68 NOTUM (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3246780 0.66 CYP3A4 (0.41) MAPTSLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL3246762 0.66 CYP3A4 (0.41) MAPTSLC6A4SLC6A2SLC6A3KMT2A

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