SCHEMBL22938522

SCHEMBL22938522

CCC1CCCC(N2CCN(C(C)=O)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 2/20 0.38
NSD2 O96028 1/20 0.38
CYP2C8 P10632 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1B P28222 1/20 0.38
HRH3 Q9Y5N1 6/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12829317 0.85 PIK3CD (0.43) HRH3POLBCYP1A2TDP1KDM4E
SCHEMBL4550241 0.81 POLB (0.50) HRH3POLBHSD17B10CYP1A2TDP1
SCHEMBL16809205 0.80 MEN1 (0.43) HRH3POLBHSD17B10CYP1A2TDP1
SCHEMBL20355941 0.80 MEN1 (0.43) HRH3POLBHSD17B10CYP1A2TDP1
SCHEMBL24192451 0.79 USP2 (0.50) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21740356 0.78 SETD2 (0.39) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13088446 0.77 POLB (0.55) HRH3POLBHSD17B10CYP1A2TDP1
SCHEMBL13627077 0.76 HRH3 (0.48) HRH3POLBHSD17B10CYP1A2TDP1
SCHEMBL13088457 0.76 POLB (0.58) HRH3POLBHSD17B10SIGMAR1PHGDH
SCHEMBL13453747 0.76 POLB (0.58) HRH3POLBHSD17B10SIGMAR1PHGDH

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
WO-2021195481-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-09-30 WO disclosed
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed