SCHEMBL8537772

SCHEMBL8537772

O=C(O)NCc1cccc(C2CCCN2Cc2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADAM17 P78536 3/20 0.46
OPRK1 P41145 7/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CFB P00751 2/20 0.42
OPRM1 P35372 5/20 0.42
OPRD1 P41143 2/20 0.42

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
SCHEMBL8539332 0.90 KDM4E (0.53) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8543060 0.83 ADAM17 (0.45) ALDH1A1KDM4ESMN1; SMN2ADAM17OPRK1
SCHEMBL8540442 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ADAM17OPRK1OPRM1
SCHEMBL8541053 0.80 CYP3A4 (0.47) ALDH1A1HTTCYP3A4CYP2C9KMT2A
SCHEMBL9250795 0.80 OPRK1 (0.47) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8540467 0.79 KDM4E (0.52) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8543401 0.78 USP2 (0.47) ALDH1A1KDM4EHTTSMN1; SMN2ADAM17
SCHEMBL8539128 0.76 POLB (0.46) ALDH1A1HTTSMN1; SMN2ADAM17CYP3A4
SCHEMBL8538305 0.76 OPRK1 (0.48) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8539767 0.76 ALDH1A1 (0.46) ALDH1A1ADAM17

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 2 patents. 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
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP claimed