SCHEMBL2016234

SCHEMBL2016234

CC(=O)N1CCC(C(=O)N2CCN(c3c(CC=O)cc(Cl)c4cccnc34)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
NPSR1 Q6W5P4 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MPI P34949 1/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
SMO Q99835 4/20 0.40

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
SCHEMBL2011899 0.93 ALDH1A1 (0.44) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2013450 0.91 IDE (0.45) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2014599 0.88 FNTA (0.44) FNTAFNTBNPSR1KMT2AMEN1
SCHEMBL2164834 0.84 FNTA (0.47) FNTAFNTBNPSR1KMT2AMEN1
SCHEMBL2164175 0.81 FNTA (0.44) FNTAFNTBNPSR1KMT2AMEN1
SCHEMBL2019485 0.80 SMO (0.49) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2012195 0.80 ALDH1A1 (0.44) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2013930 0.80 AKR1C3 (0.43) NPSR1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL2016804 0.80 SLC6A7 (0.47) NPSR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2014280 0.79 MEN1 (0.52) KMT2AMEN1CYP3A4CYP2C19ALDH1A1

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed