SCHEMBL14409751

SCHEMBL14409751

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
OPRM1 P35372 9/20 0.43
SIGMAR1 Q99720 2/20 0.43
CHRM3 P20309 3/20 0.41
OPRD1 P41143 3/20 0.41
SLC22A1 O15245 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRM1 P11229 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
SCHEMBL13503839 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL14409754 0.83 KDM4E (0.48) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL23032664 0.83 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL13503591 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3630848 0.78 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL14409764 0.78 OPRM1 (0.47) OPRM1CHRM3CHRM2
SCHEMBL26191622 0.73 TAAR1 (0.37) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL8331162 0.71 POLB (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL8807231 0.71 CHRM3 (0.54) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL28891615 0.70 MEN1 (0.54) MEN1KMT2ASMN1; SMN2KDM4ENPC1

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