SCHEMBL8438413

SCHEMBL8438413

CCCCOC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.NC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
OPRD1 P41143 3/20 0.49
OPRK1 P41145 2/20 0.49
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRCP P42785 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41

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
SCHEMBL1447090 0.88 OPRD1 (0.56) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL27472889 0.84 OPRD1 (0.57) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL7466581 0.81 TSHR (0.53) SMN1; SMN2LMNAOPRD1OPRK1KMT2A
SCHEMBL9037444 0.79 OPRD1 (0.51) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL6248104 0.79 KMT2A (0.54) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL8915729 0.77 OPRM1 (0.53) SMN1; SMN2LMNAPOLBOPRD1OPRK1
SCHEMBL27381366 0.76 KMT2A (0.65) OPRD1OPRK1KMT2AMEN1ALDH1A1
SCHEMBL16244835 0.75 OPRD1 (0.57) SMN1; SMN2LMNAPOLBOPRD1OPRK1
Hydrochloric Acid SCHEMBL8635061 0.75 KMT2A (0.63) OPRD1OPRK1KMT2AMEN1ALDH1A1
SCHEMBL533646 0.75 POLB (0.97) SMN1; SMN2LMNAPOLBKMT2AMEN1

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-0946548-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed