SCHEMBL8539128

SCHEMBL8539128

O=C(O)NCc1cccc(C2CCCN2CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 2/20 0.43
ADAM17 P78536 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM1A O60341 1/20 0.39
PPID Q08752 1/20 0.39

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
SCHEMBL8540442 0.85 ALDH1A1 (0.53) ADAM17SMN1; SMN2EPHX2ALDH1A1
SCHEMBL8543401 0.82 USP2 (0.47) POLBADAM17SMN1; SMN2ALDH1A1MAPT
SCHEMBL8543060 0.81 ADAM17 (0.45) ADAM17SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL8542792 0.81 OPRM1 (0.54) MAPK1SMN1; SMN2
SCHEMBL8541500 0.77 ACHE (0.43) MAPK1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8537772 0.76 ALDH1A1 (0.47) ADAM17SMN1; SMN2CYP3A4CYP2C9ALDH1A1
SCHEMBL8539067 0.76 HTR1A (0.50) ALDH1A1LMNA
SCHEMBL8539767 0.76 ALDH1A1 (0.46) ADAM17ALDH1A1
SCHEMBL8539332 0.75 KDM4E (0.53) POLBADAM17SMN1; SMN2ALDH1A1MAPT
SCHEMBL8541234 0.75 ADAM17 (0.53) ADAM17EPHX2PPID

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
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed