SCHEMBL3243453

SCHEMBL3243453

COC(=O)C1CCCNC1C1Cc2cc(OC)ccc2N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.38
NOD1 Q9Y239 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
NOTUM Q6P988 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HSD11B1 P28845 1/20 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

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
SCHEMBL3243682 0.88 MAPT (0.36) KMT2ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL3240586 0.88 ALDH1A1 (0.39) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL3246780 0.85 CYP3A4 (0.41) MEN1KMT2ALMNAHSD17B10NOTUM
SCHEMBL3246762 0.85 CYP3A4 (0.41) MEN1KMT2ALMNAHSD17B10NOTUM
SCHEMBL3243448 0.78 MEN1 (0.40) MEN1KMT2ADPP4HSD17B10NPSR1
SCHEMBL3244940 0.77 DRD2 (0.37) HSD17B10
SCHEMBL3242982 0.72 MEN1 (0.43) MEN1KMT2ADPP4HTR2CHTR2B
SCHEMBL7336655 0.72 NOTUM (0.48) KMT2ALMNAHSD17B10NOTUMMTNR1A
SCHEMBL7343636 0.72 NOTUM (0.48) KMT2ALMNAHSD17B10NOTUMMTNR1A
SCHEMBL7338202 0.72 NOTUM (0.48) KMT2ALMNAHSD17B10NOTUMMTNR1A

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