SCHEMBL5803367

SCHEMBL5803367

O=C1CCCN1C=CCCCCl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5814341 0.83 MGLL (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7059780 0.83 MGLL (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7793970 0.83 MGLL (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7794085 0.81 FAAH (0.46) PIK3CD
SCHEMBL7794084 0.81 FAAH (0.46) PIK3CD
SCHEMBL5810198 0.81 PIK3CD (0.33) PIK3CDTSHRBRD4BRD2MEN1
SCHEMBL5810200 0.81 PIK3CD (0.33) PIK3CDTSHRBRD4BRD2MEN1
SCHEMBL7803804 0.80 FAAH (0.45) TSHR
SCHEMBL7803803 0.80 FAAH (0.45) TSHR
SCHEMBL18935700 0.80 FAAH (0.45) TSHR

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
WO-2006056166-A2 METHOD FOR THE ADDITION OF AMIDES UREAS LACTAMS AND CARBAMATES TO ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-06-01 WO disclosed