SCHEMBL31687516

SCHEMBL31687516

CC(C)(C)NC(=O)C1CCN(CCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.53
DRD2 P14416 9/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
CACNA1H O95180 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL22703621 0.85 DRD2 (0.54) DRD2SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL24619896 0.83 DRD2 (0.54) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL22699069 0.83 DRD2 (0.54) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL18947871 0.83 DRD2 (0.54) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL8254760 0.82 DRD2 (0.64) DRD2SMN1; SMN2SIGMAR1TDP1CACNA1H
SCHEMBL6700 0.82 DRD2 (0.53) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL24922242 0.80 DRD2 (0.51) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL17623586 0.79 TDP1 (0.48) DRD2SMN1; SMN2TDP1GNAI3GNAO1
SCHEMBL25031746 0.79 DRD2 (0.55) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL21815267 0.79 DRD2 (0.50) DRD2SIGMAR1TDP1CACNA1HMEN1

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
EP-4620949-A1 ACKR3 MODULATORS FOR CARDIOVASCULAR OR ANTIPLATELET THERAPY Eberhard Karls Universität Tübingen (Medizinische Fakultät) (DE) 2025-09-24 EP disclosed