SCHEMBL14222001

SCHEMBL14222001

CCNC(=O)C1(O)CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM1A O60341 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL14222614 0.92 EPHX1 (0.40) GPR119ACACBACACAEPHX1HPGD
SCHEMBL14222041 0.88 EPHX1 (0.43) EPHX1HPGDRECQLPOLBKDM4E
SCHEMBL14222615 0.87 EPHX1 (0.43) EPHX1HPGDRECQLPOLBKDM4E
SCHEMBL14222824 0.86 ACACB (0.43) GPR119ACACBACACAEPHX1HPGD
SCHEMBL14222826 0.86 ACACB (0.41) GPR119ACACBACACAEPHX1HPGD
SCHEMBL14222822 0.86 EPHX1 (0.42) EPHX1HPGDRECQLKDM4E
SCHEMBL3495073 0.84 HPGD (0.46) GPR119EPHX1HPGDRECQLPOLB
SCHEMBL14221912 0.80 ACACB (0.34) ACACBACACAMEN1KMT2AKDM4E
SCHEMBL3496509 0.79 KMT2A (0.52) GPR119ACACBACACAEPHX1HPGD
SCHEMBL16992583 0.77 HPGD (0.47) GPR119EPHX1HPGDRECQLPOLB

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-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed