SCHEMBL3246780

SCHEMBL3246780

COC(=O)[C@@H]1CCCN[C@@H]1[C@@H]1Cc2ccccc2N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3246762 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2CYP2C19MEN1
SCHEMBL3240586 0.85 ALDH1A1 (0.39) CYP3A4CYP2D6CYP1A2CYP2C19MEN1
SCHEMBL3243682 0.85 MAPT (0.36) CYP3A4CYP2D6CYP1A2CYP2C19KMT2A
SCHEMBL3243831 0.80 KMT2A (0.44) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3244851 0.74 HTR1A (0.40) MEN1KMT2ADRD2DRD4
SCHEMBL3244846 0.74 HTR1A (0.40) MEN1KMT2ADRD2DRD4
SCHEMBL3242963 0.74 MEN1 (0.46) MEN1KMT2ANOTUMALDH1A1LMNA
SCHEMBL17442799 0.73 DRD2 (0.55) NOTUMLMNADRD2DRD4
SCHEMBL9294530 0.70 SLC6A2 (0.50) CYP3A4CYP2D6CYP1A2CYP2C19SLC6A2
SCHEMBL7654723 0.70 SLC6A2 (0.50) CYP3A4CYP2D6CYP1A2CYP2C19SLC6A2

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