SCHEMBL25818079

SCHEMBL25818079

CC(=O)CCN1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 5/20 0.50
CRBN Q96SW2 5/20 0.50
HTR1A P08908 6/20 0.45
HTR7 P34969 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
SOD1 P00441 1/20 0.40

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
SCHEMBL25818082 0.92 DDB1 (0.47) DDB1CRBNHTR1AHTR7DRD2
SCHEMBL25818076 0.87 DDB1 (0.52) DDB1CRBNMEN1KMT2AKDM4E
SCHEMBL31586109 0.84 DDB1 (0.50) DDB1CRBNHTR1AHTR7DRD2
SCHEMBL31587053 0.82 HTR1A (0.48) DDB1CRBNHTR1AHTR7LMNA
SCHEMBL31586422 0.82 HTR1A (0.48) DDB1CRBNHTR1AHTR7LMNA
SCHEMBL25035204 0.81 HTR7 (0.50) DDB1CRBNHTR1AHTR7ALDH1A1
SCHEMBL25634636 0.80 CRBN (0.63) DDB1CRBNKMT2ALMNAGAA
SCHEMBL30678689 0.80 DDB1 (0.56) DDB1CRBNMEN1KMT2AGAA
SCHEMBL27197476 0.80 DDB1 (0.56) DDB1CRBNHTR1ADRD2DRD4
SCHEMBL27197516 0.79 LMNA (0.47) DDB1CRBNMEN1KMT2ALMNA

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-2023116934-A1 KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-06-29 WO disclosed