SCHEMBL7538218

SCHEMBL7538218

CCOC(=O)N1CCc2cc(OCCOC)c(C(=O)NCCN)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
TMEM97 Q5BJF2 3/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAP3K5 Q99683 6/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7534836 0.86 KMT2A (0.47) MAP3K5KMT2AMEN1MAPT
SCHEMBL7484801 0.80 RAB9A (0.42) SIGMAR1TMEM97DRD2DRD3KMT2A
SCHEMBL7485077 0.72 HRH3 (0.41) SIGMAR1TMEM97DRD2DRD3KMT2A
SCHEMBL7542447 0.72 KMT2A (0.42) MAP3K5KMT2AMEN1MAPT
SCHEMBL22466082 0.71 MAP3K5 (0.51) MAP3K5MAPT
SCHEMBL7481478 0.70 TMEM97 (0.36) SIGMAR1TMEM97
SCHEMBL8195562 0.69 ESR1 (0.39) SIGMAR1TMEM97MAPT
SCHEMBL8196776 0.69 KDM4E (0.50) KMT2AMEN1MAPT
SCHEMBL22466216 0.69 MAP3K5 (0.51) SIGMAR1TMEM97MAP3K5MAPT
SCHEMBL38651001 0.69 TMEM97 (0.54) SIGMAR1TMEM97KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed