SCHEMBL9148809

SCHEMBL9148809

COC(=O)CN1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9148823 1.00 TSHR (0.36) TSHRKDM4EBRD4SMN1; SMN2
SCHEMBL9148812 1.00 TSHR (0.36) TSHRKDM4EBRD4SMN1; SMN2
SCHEMBL19010647 0.79 TSHR (0.39) TSHRKDM4EBRD4SMN1; SMN2
SCHEMBL9939509 0.79 TSHR (0.39) TSHRKDM4EBRD4SMN1; SMN2
SCHEMBL8873316 0.79 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL11084180 0.76 KDM4E (0.47) TSHRKDM4ESMN1; SMN2
SCHEMBL10774433 0.75 TSHR (0.48) TSHRKDM4EBRD4SMN1; SMN2
SCHEMBL7515872 0.75 BCHE (0.34) KDM4ESMN1; SMN2
SCHEMBL7860321 0.75 BCHE (0.34) KDM4ESMN1; SMN2
SCHEMBL16199661 0.74 JAK2 (0.38) TSHRBRD4SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405853-A Potent muscarinic agonists having good central nervous system penetrability MERCK SHARPE & DOHME LTD. (GB) 1995-04-11 US disclosed
EP-0307142-B1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-09-14 EP disclosed
US-5260293-A Simulate central muscarinic acetlycholine receptors MERCK SHARP & DOHME LIMITED (GB) 1993-11-09 US disclosed
EP-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 EP disclosed
EP-0307142-A1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 EP disclosed