SCHEMBL4396316

SCHEMBL4396316

C[C@H](CN1CCC(NC(=O)Oc2cc3c(OCc4ccoc4)cccc3[nH]2)CC1)N1CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR1A P08908 3/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
SRD5A2 P31213 1/20 0.33
MCHR1 Q99705 1/20 0.32
CCR5 P51681 1/20 0.32
SLC2A1 P11166 1/20 0.32
CCR8 P51685 1/20 0.32

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
SCHEMBL4406699 1.00 KMT2A (0.34) KMT2ACHRM2CHRM1CHRM3HTR1A
SCHEMBL4411341 0.94 HTR1A (0.34) KMT2AHTR1ASLC6A4ACHEPARP1
SCHEMBL4398622 0.89 KMT2A (0.32) KMT2AHTR1ASLC6A4ACHEPARP1
SCHEMBL4399335 0.89 KMT2A (0.32) KMT2AHTR1ASLC6A4ACHEPARP1
SCHEMBL4403746 0.89 CHRM2 (0.36) KMT2ACHRM2CHRM1CHRM3MEN1
SCHEMBL914612 0.88 KMT2A (0.43) KMT2AACHEPARP1MEN1SRD5A2
SCHEMBL915417 0.88 KMT2A (0.43) KMT2AACHEPARP1MEN1SRD5A2
SCHEMBL4409082 0.84 SRD5A2 (0.36) KMT2ACHRM2CHRM1CHRM3MEN1
SCHEMBL4405878 0.83 LMNA (0.40) KMT2AHTR1ASLC6A4LMNAPARP1
SCHEMBL4411388 0.82 CHRM2 (0.34) KMT2ACHRM2CHRM1CHRM3LMNA

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed