SCHEMBL5884576

SCHEMBL5884576

CCON=Cc1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
OPRK1 P41145 2/20 0.35
BPTF Q12830 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PANK3 Q9H999 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 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
SCHEMBL5884657 0.92 OPRK1 (0.36) OPRK1ALDH1A1PPARGPPARDPPARA
SCHEMBL5884125 0.85 HPGD (0.37) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884132 0.84 LMNA (0.39) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884102 0.82 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884301 0.82 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884402 0.82 OPRK1 (0.33) OPRK1PPARGPPARDPPARA
SCHEMBL5883827 0.81 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884253 0.81 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884632 0.79 HPGD (0.41) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884586 0.79 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2LMNAHTT

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed