SCHEMBL30103394

SCHEMBL30103394

[2H]C1CCCN(C(=O)c2c(C)cccc2F)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
HPGD P15428 4/20 0.49
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G7 Q13093 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
SCHEMBL18801589 0.90 LMNA (0.75) LMNAHPGDHTTCYP1A2CYP2C9
SCHEMBL30103438 0.90 LMNA (0.75) LMNAHPGDHTTCYP1A2CYP2C9
SCHEMBL14103288 0.80 LMNA (1.00) LMNAHPGDHTTCYP1A2CYP2C9
SCHEMBL4159647 0.80 LMNA (0.61) LMNAHPGDHTTCYP2C19KMT2A
SCHEMBL14454107 0.80 LMNA (0.58) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL24016846 0.78 LMNA (0.96) LMNAHPGDHTTCYP1A2CYP2C9
SCHEMBL21163104 0.78 HPGD (0.62) LMNAHPGDHTTCYP2C19KMT2A
SCHEMBL18801768 0.76 LMNA (0.54) LMNAHPGDHTTKMT2ANPC1
SCHEMBL24016862 0.76 LMNA (0.54) LMNAHPGDHTTKMT2ANPC1
SCHEMBL4163104 0.74 HPGD (0.55) LMNAHPGDHTTCYP2C19KMT2A

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-4097138-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS Avila Therapeutics, Inc. (US) 2022-12-07 EP disclosed