SCHEMBL24326693

SCHEMBL24326693

CC(C)CCC1C(=O)NCC(O)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.36
ACE P12821 1/20 0.36
TACR1 P25103 2/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL24326692 1.00 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325780 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326128 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326179 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326185 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325785 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325827 0.86 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325824 0.86 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL27006639 0.82 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL24326275 0.81 MAPT (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1

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-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed