SCHEMBL30772256

SCHEMBL30772256

CC(C)N1CCN(c2ccccc2N)C[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 2/20 0.51
KMT2A Q03164 2/20 0.51
ADRA2C P18825 1/20 0.50
KEAP1 Q14145 1/20 0.45
BRD4 O60885 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
DHFR P00374 2/20 0.33
MC4R P32245 1/20 0.32
GRM1 Q13255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL20157486 0.79 CA2 (0.41) GAABRD4SMARCA2SMARCA4PBRM1
SCHEMBL19003675 0.78 KDM4E (0.41) MEN1KMT2AADRA2CKDM4ESMN1; SMN2
SCHEMBL17897242 0.78 KDM4E (0.41) MEN1KMT2AADRA2CKDM4ESMN1; SMN2
SCHEMBL17897247 0.78 KDM4E (0.41) MEN1KMT2AADRA2CKDM4ESMN1; SMN2
SCHEMBL18040067 0.77 GAA (0.56) GAAMEN1USP2KMT2AADRA2C
SCHEMBL31321262 0.76 KMT2A (0.51) GAAMEN1KMT2AKDM4EHTT
SCHEMBL23152040 0.72 ADRA2C (0.79) GAAMEN1USP2KMT2AADRA2C
SCHEMBL11775877 0.72 ADRA2C (0.79) GAAMEN1USP2KMT2AADRA2C
SCHEMBL17897231 0.72 GRM1 (0.52) KDM4EGRM1
SCHEMBL3076827 0.70 GAA (0.65) GAAMEN1USP2KMT2AADRA2C

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
CN-117561238-A Phenylurea derivatives 住友制药株式会社 2024-02-13 CN disclosed