SCHEMBL8554049

SCHEMBL8554049

COC(=O)C1CCC(NC(=O)c2sc(CCC3CCNCC3)nc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.36
CHRM4 P08173 7/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
HPGDS O60760 1/20 0.34
DRD3 P35462 2/20 0.33
EP300 Q09472 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8554046 1.00 LMNA (0.42) LMNAGAACHRM4CHRM2CHRM1
Hydrochloric Acid SCHEMBL8549999 0.99 LMNA (0.41) LMNAGAACHRM4CHRM2CHRM1
Hydrochloric Acid SCHEMBL8627559 0.89 LMNA (0.43) LMNAGAACHRM4CHRM2CHRM1
Hydrochloric Acid SCHEMBL8551751 0.89 LMNA (0.43) LMNAGAACHRM4CHRM2CHRM1
SCHEMBL8553358 0.82 LMNA (0.44) LMNAGAAKDM4EALDH1A1
SCHEMBL8550439 0.81 ITGB3 (0.38) ITGB3ITGA2BHPGDS
SCHEMBL8550434 0.81 ITGB3 (0.38) ITGB3ITGA2BHPGDS
SCHEMBL8552715 0.78 LMNA (0.47) LMNAGAACHRM4KDM4EALDH1A1
SCHEMBL8552717 0.78 LMNA (0.47) LMNAGAACHRM4KDM4EALDH1A1
SCHEMBL8628646 0.73 IKBKB (0.34) ITGB3ITGA2B

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
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed