SCHEMBL8185069

SCHEMBL8185069

CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.CCCCOC(=O)N1CCOC(CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL8185070 0.90 LMNA (0.38) LMNAPOLBSMN1; SMN2SLC6A2SLC6A4
SCHEMBL6200553 0.87 CCR5 (0.40) SLC6A2SLC6A4
SCHEMBL7498995 0.87 CCR5 (0.40) SLC6A2SLC6A4
SCHEMBL7502451 0.84 CCR5 (0.40) SLC6A2SLC6A4
SCHEMBL7502471 0.84 CCR5 (0.40) SLC6A2SLC6A4
SCHEMBL7500267 0.82 CCR5 (0.40) SLC6A2SLC6A4
SCHEMBL7502461 0.78 CCR5 (0.40) SLC6A2SLC6A4OPRK1
SCHEMBL7502456 0.78 CCR5 (0.40) SLC6A2SLC6A4OPRK1
SCHEMBL6200549 0.78 CCR5 (0.41) SLC6A2SLC6A4
SCHEMBL7499000 0.78 CCR5 (0.41) SLC6A2SLC6A4

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
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed