SCHEMBL3247422

SCHEMBL3247422

COC(=O)C1CCCN(C2Cc3ccccc3N2C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NOTUM Q6P988 1/20 0.41
CREBBP Q92793 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17442799 0.73 DRD2 (0.55) NOTUMLMNADRD2DRD4
SCHEMBL3243831 0.71 KMT2A (0.44) ALDH1A1NOTUMRAB9AMEN1KMT2A
SCHEMBL28087158 0.70 NOTUM (0.56) ALDH1A1NOTUMCREBBPRAB9AMEN1
SCHEMBL8636626 0.69 MEN1 (0.43) ALDH1A1NOTUMRAB9AMEN1KMT2A
SCHEMBL2827512 0.68 NOTUM (0.60) ALDH1A1NOTUMLMNADRD2DRD4
SCHEMBL29859758 0.68 NOTUM (0.60) ALDH1A1NOTUMLMNADRD2DRD4
SCHEMBL2827516 0.68 NOTUM (0.60) ALDH1A1NOTUMLMNADRD2DRD4
SCHEMBL5847721 0.68 NOTUM (0.60) ALDH1A1NOTUMLMNADRD2DRD4
SCHEMBL3246780 0.68 CYP3A4 (0.41) ALDH1A1NOTUMMEN1KMT2ALMNA
SCHEMBL3246762 0.68 CYP3A4 (0.41) ALDH1A1NOTUMMEN1KMT2ALMNA

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