SCHEMBL21389181

SCHEMBL21389181

CC1C[C@@H]2C(=O)N(CCN)C(=O)[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
MT-CO2 P00403 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL13291898 0.78 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ARAB9AESR1
SCHEMBL26744408 0.76 HEXA (0.34) HEXAHEXB
SCHEMBL21389207 0.76 HEXA (0.34) HEXAHEXB
SCHEMBL24796129 0.76 HEXA (0.34) HEXAHEXB
SCHEMBL19755111 0.73 KMT2A (0.35) MT-CO2ALOX5KMT2ARAB9APOLB
SCHEMBL13291893 0.68 ACHE (0.43) ALDH1A1
SCHEMBL17614238 0.68 CYP19A1 (0.38) HEXAHEXBALDH1A1MEN1KMT2A
SCHEMBL21625395 0.67 LMNA (0.37) RAB9APOLBLMNA
SCHEMBL7487859 0.67 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ARAB9AESR1
SCHEMBL13528429 0.67 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2ARAB9A

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed