SCHEMBL7466581

SCHEMBL7466581

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.NC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
USP2 O75604 1/20 0.51
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
TET3 O43151 1/20 0.44
KMT2A Q03164 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
RECQL P46063 1/20 0.44
TACR1 P25103 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8350400 0.88 TSHR (0.54) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL972474 0.87 TSHR (0.65) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL2269271 0.86 SMN1; SMN2 (0.63) TSHRALOX15ATMSMN1; SMN2USP2
SCHEMBL6543780 0.82 TSHR (0.63) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL8438413 0.81 SMN1; SMN2 (0.55) SMN1; SMN2OPRD1OPRK1TET3KMT2A
SCHEMBL21408986 0.80 TSHR (0.60) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL19183400 0.80 TSHR (0.60) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL27381366 0.79 KMT2A (0.65) OPRD1OPRK1TET3KMT2AFBXL19
SCHEMBL13543984 0.79 TSHR (0.64) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL10253634 0.78 TSHR (0.58) TSHRALOX15ATMOPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946548-B1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2002-03-06 EP disclosed
EP-0946548-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
US-5861417-A TACHYKININ RECEPTOR ANTAGONISTS USEFUL IN TREATING ASTHMA, COUGH, BRONCHITIS, PAIN HOECHST MARION ROUSSEL, INC. (US) 1999-01-19 US disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed