SCHEMBL8552717

SCHEMBL8552717

COC(=O)C1CCC(NC(=O)c2sc(CCC3CCN(C(=O)OCc4ccccc4)CC3)nc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CHRM4 P08173 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ENPP2 Q13822 2/20 0.43
GRIN2B Q13224 7/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8552715 1.00 LMNA (0.47) LMNAGAACHRM4HTTSMN1; SMN2
SCHEMBL8553358 0.84 LMNA (0.44) LMNAGAAKDM4EALDH1A1FAAH
SCHEMBL8621609 0.84 SMN1; SMN2 (0.51) CHRM4HTTSMN1; SMN2NPC1RAB9A
SCHEMBL8554226 0.82 SMN1; SMN2 (0.47) GAAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8549687 0.79 HTT (0.47) CHRM4HTTSMN1; SMN2NPC1RAB9A
SCHEMBL8552781 0.78 LMNA (0.47) LMNAGAACHRM4HTTSMN1; SMN2
SCHEMBL485156 0.74 SMN1; SMN2 (0.75) HTTSMN1; SMN2NPC1RAB9AENPP2
SCHEMBL9241437 0.71 SMN1; SMN2 (0.68) HTTSMN1; SMN2NPC1RAB9AENPP2
SCHEMBL31586614 0.70 SMN1; SMN2 (0.63) HTTSMN1; SMN2NPC1RAB9AENPP2
SCHEMBL8626988 0.70 GRIN2B (0.52) HTTSMN1; SMN2NPC1RAB9AGRIN2B

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