SCHEMBL25023271

SCHEMBL25023271

CCCN(CCC)CCNC(=O)C(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CREBBP Q92793 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32

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
SCHEMBL10489342 0.80 USP2 (0.44) TSHRUSP2DPP7ALDH1A1LMNA
SCHEMBL15613399 0.76 KMT2A (0.43) TSHRUSP2CYP2D6CA12CA9
SCHEMBL17662391 0.74 SMN1; SMN2 (0.45) CYP2D6ALDH1A1KDM4ELMNAKMT2A
SCHEMBL16317805 0.74 PAOX (0.47) TSHRDRD2DRD4DRD3CA12
SCHEMBL2461091 0.74 DRD2 (0.41) TSHRCYP2D6DRD2DRD4DRD3
SCHEMBL12387743 0.74 KMT2A (0.42) TSHRUSP2CYP2D6CA12CA9
SCHEMBL14108245 0.73 USP2 (0.34) TSHRUSP2CYP2D6CA12CA9
SCHEMBL24838593 0.73 EPHX1 (0.57) DPP7MMP8
SCHEMBL17663571 0.72 KMT2A (0.54) CYP2D6DRD2DRD4DRD3CA12
SCHEMBL16451032 0.72 HPGD (0.47) TSHRUSP2ALDH1A1KDM4ELMNA

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-2023018155-A1 COMPOUND HAVING SHP2 PROTEIN DEGRADING ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-02-16 WO disclosed