SCHEMBL23787

SCHEMBL23787

[c]1cccc(C23CC4CC(CC(C4)C2)C3)c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23071351 0.77 ALDH1A1 (0.36) LMNAALDH1A1MEN1POLBGAA
SCHEMBL7834287 0.76 HSD11B1 (0.36) LMNAALDH1A1MEN1POLBGAA
SCHEMBL9509354 0.72 LMNA (0.34) LMNAALDH1A1MEN1KMT2A
SCHEMBL2746867 0.69 EPHX2 (0.36) LMNAALDH1A1MEN1KMT2A
SCHEMBL458991 0.69 HTR2C (0.34)
SCHEMBL32685217 0.67 GRIN2D (0.42) LMNAALDH1A1MEN1POLBGAA
SCHEMBL9586481 0.66 HTR2C (0.31)
SCHEMBL1264419 0.66 ALDH1A1 (0.38) LMNAALDH1A1MEN1POLBGAA
SCHEMBL16958502 0.66 HTR2C (0.31)
SCHEMBL2746865 0.66 KDM4E (0.32) LMNAALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO disclosed