SCHEMBL2647896

SCHEMBL2647896

CCCOc1ccc(C(=O)N(C)OC)c(OCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.48
THRB P10828 5/20 0.48
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL955381 0.83 CYP1A1 (0.45) KMT2AKDM4ECYP1A1CYP1B1ALDH1A1
SCHEMBL22160268 0.82 MAPT (0.46) THRALMNAPOLBRAB9AL3MBTL1
SCHEMBL22160250 0.80 L3MBTL1 (0.45) KDM4ELMNAALDH1A1POLBRAB9A
SCHEMBL28519834 0.79 TDP1 (0.51) THRATHRBKMT2AKDM4ECYP1A2
SCHEMBL8218438 0.79 LMNA (0.55) KMT2AKDM4ECYP1A2LMNAMAOB
SCHEMBL28529318 0.79 KMT2A (0.57) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL12418029 0.78 LMNA (0.55) THRBKMT2AKDM4ECYP1A2LMNA
SCHEMBL955308 0.78 PTGDR2 (0.48) THRATHRBKMT2AKDM4EALDH1A1
SCHEMBL6835721 0.77 KMT2A (0.53) KMT2AKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL4841763 0.77 NPC1 (0.57) KMT2ACYP1A2LMNAMEN1ALDH1A1

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-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP disclosed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 EP disclosed
US-5880139-A TREATING DIABETES, OBESITY, HYPERTENSION, CACHEXIA MERCK & CO., INC. (US) 1999-03-09 US disclosed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 WO disclosed