SCHEMBL3243682

SCHEMBL3243682

COC(=O)C1CCCNC1C1Cc2cc(Cl)ccc2N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3240586 0.88 ALDH1A1 (0.39) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3243453 0.88 MEN1 (0.40) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3246780 0.85 CYP3A4 (0.41) MAPTKMT2ASLC6A4SLC6A3CYP1A2
SCHEMBL3246762 0.85 CYP3A4 (0.41) MAPTKMT2ASLC6A4SLC6A3CYP1A2
SCHEMBL3249870 0.82 MAPT (0.37) MAPTKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL3243448 0.66 MEN1 (0.40) KMT2A
SCHEMBL3243831 0.66 KMT2A (0.44) MAPTKMT2ASLC6A4SLC6A3CYP3A4
SCHEMBL14249532 0.62 AADAT (0.42) KMT2ACYP2C19
SCHEMBL7654723 0.62 SLC6A2 (0.50) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL7986945 0.62 PDE5A (0.38) KMT2ACYP2C19

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