SCHEMBL14409754

SCHEMBL14409754

CCC1CCC(N(C(=O)CC(C)(C)C)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 11/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRD1 P41143 5/20 0.45
OPRK1 P41145 3/20 0.45
CHRM3 P20309 2/20 0.45
SLC22A1 O15245 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB1 P08183 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45

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
SCHEMBL13681467 0.86 MITF (0.50) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL14409751 0.83 MEN1 (0.46) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL13681387 0.83 KDM4E (0.47) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL19953554 0.71 ALDH1A1 (0.84) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL8430674 0.71 MITF (0.59) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL23298383 0.71 OPRM1 (0.69) MEN1KMT2AOPRM1SIGMAR1OPRD1
SCHEMBL26191622 0.71 TAAR1 (0.37) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL18569422 0.71 KDM4E (0.72) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL23651678 0.70 OPRM1 (0.67) OPRM1SIGMAR1OPRD1OPRK1CHRM3
SCHEMBL18792620 0.70 MITF (0.57) KDM4EMEN1NPC1MITFALDH1A1

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-1487811-B1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LAB (US) 2007-09-05 EP disclosed