SCHEMBL3246223

SCHEMBL3246223

NC(=O)CN1CCCC2C(=O)N3c4ccccc4CC3C21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 2/20 0.36
TACR1 P25103 1/20 0.36
AADAT Q8N5Z0 2/20 0.35
GOT1 P17174 1/20 0.35
NOTUM Q6P988 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 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
SCHEMBL3236804 0.81 HTR1A (0.41)
SCHEMBL3239192 0.81 NOTUM (0.36) MEN1KMT2ANOTUM
SCHEMBL3242333 0.81 HTR1A (0.41)
SCHEMBL3239203 0.81 HTR1A (0.41)
SCHEMBL3248230 0.81 HTR1A (0.41)
SCHEMBL3243592 0.77 NOTUM (0.40) MEN1KMT2ANOTUM
SCHEMBL3243594 0.77 NOTUM (0.40) MEN1KMT2ANOTUM
SCHEMBL3236813 0.77 NOTUM (0.40) MEN1KMT2ANOTUM
SCHEMBL4461053 0.67 TACR1 (0.50) MEN1KMT2AALDH1A1TACR1KDM4E
SCHEMBL3241251 0.66 NOTUM (0.41) MEN1KMT2AAADATGOT1NOTUM

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 claimed