SCHEMBL8544896

SCHEMBL8544896

O=C(O)NCc1cccc(C2CCC(=O)N2CCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.44
CCR4 P51679 7/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
P2RX7 Q99572 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL8543669 0.88 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1USP2HTTPOLB
SCHEMBL9289082 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1USP2HTTPOLB
SCHEMBL8543401 0.82 USP2 (0.47) SMN1; SMN2ALDH1A1USP2HTTPOLB
SCHEMBL8538321 0.81 RXFP1 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL8541053 0.78 CYP3A4 (0.47) ALDH1A1HTTP2RX7
SCHEMBL8544556 0.77 MEN1 (0.43) SMN1; SMN2ALDH1A1POLBKDM4EHSD17B10
SCHEMBL8539565 0.76 MEN1 (0.52) SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL8542599 0.73 ATM (0.44) SMN1; SMN2ALDH1A1USP2KDM4EHSD17B10
SCHEMBL8589735 0.73 CHRM2 (0.42) SMN1; SMN2ALDH1A1HTTKDM4EHSD17B10
SCHEMBL8544484 0.71 CHRM2 (0.41) SMN1; SMN2ALDH1A1HTTKDM4EHSD17B10

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