SCHEMBL5884377

SCHEMBL5884377

CCC(=NOC)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
DRD4 P21917 6/20 0.38
DRD2 P14416 3/20 0.38
GPR119 Q8TDV5 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PANK3 Q9H999 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5884652 0.93 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884721 0.84 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884268 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884430 0.79 NR1I2 (0.39) GPR119
SCHEMBL5884597 0.77 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9214586 0.77 LMNA (0.46) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5883827 0.76 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884253 0.76 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9220790 0.76 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9270932 0.76 LMNA (0.52) 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