SCHEMBL9028736

SCHEMBL9028736

CC(C)Oc1cccc(C(=O)N2CCCC[C@](CCOS(C)(=O)=O)(c3cccc4ccccc34)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 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
SCHEMBL8884091 0.94 MEN1 (0.47) MEN1KMT2AGAAHTTPOLB
SCHEMBL9027155 0.89 MEN1 (0.52) MEN1KMT2AGAAHTTPKM
SCHEMBL8884481 0.82 MEN1 (0.47) MEN1KMT2AGAAHTTPKM
SCHEMBL8883531 0.82 TACR2 (0.48) TACR2TACR1
SCHEMBL9027244 0.81 KMT2A (0.47) MEN1KMT2AGAAHTTPOLB
SCHEMBL9028740 0.78 KDM4E (0.39) MEN1KMT2AGAAHTTPOLB
SCHEMBL8883870 0.77 KMT2A (0.46) MEN1KMT2AGAAHTTPKM
SCHEMBL8883877 0.77 KMT2A (0.46) MEN1KMT2AGAAHTTPKM
SCHEMBL8953928 0.72 TACR1 (0.59) TACR2TACR1TACR3
SCHEMBL9027765 0.72 TACR2 (0.42) POLBTACR2TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563133-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed