SCHEMBL4886073

SCHEMBL4886073

CCCCN1CCC(Oc2ccc(C(=O)N3CCc4cc(Oc5ccc(NC(=O)NC(CC)CC)cc5OC)ccc43)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4COC)c(C)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 3/20 0.35
FGFR1 P11362 4/20 0.34
NR3C1 P04150 1/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4237062 0.90 SMN1; SMN2 (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4233951 0.88 SMN1; SMN2 (0.40) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4242223 0.88 MEN1 (0.37) MEN1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL4240249 0.87 SMN1; SMN2 (0.45) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL4888299 0.86 MCHR1 (0.37) LMNAMAPTSMN1; SMN2NPSR1MCHR1
SCHEMBL4236550 0.83 MCHR1 (0.40) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4683606 0.83 HRH3 (0.42) MCHR1
SCHEMBL4238883 0.82 MCHR1 (0.43) MEN1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL4236062 0.82 MCHR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL4233894 0.82 MCHR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPSR1

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed