SCHEMBL8778019

SCHEMBL8778019

COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.67
SIGMAR1 Q99720 5/20 0.67
MCHR1 Q99705 3/20 0.57
MAOA P21397 4/20 0.55
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ACHE P22303 3/20 0.51
BCHE P06276 2/20 0.51
DRD4 P21917 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8803135 0.85 SIGMAR1 (0.67) MAOBSIGMAR1MCHR1MAOATSHR
SCHEMBL8777858 0.84 F10 (0.49) MEN1KMT2A
SCHEMBL8803225 0.80 MAOB (0.58) MAOBSIGMAR1MCHR1MAOATSHR
SCHEMBL8805057 0.77 MAOB (0.69) MAOBSIGMAR1MAOATSHRKDM4E
SCHEMBL8777941 0.77 F10 (0.43) MEN1KMT2A
Hydrochloric Acid SCHEMBL8946231 0.76 F10 (0.42) MEN1KMT2A
SCHEMBL8778002 0.76 F10 (0.47) MAOBTSHRKDM4EMEN1KMT2A
SCHEMBL8777893 0.76 KMT2A (0.59) MAOBTSHRKDM4EMEN1KMT2A
SCHEMBL8777895 0.75 MAOB (0.64) MAOBSIGMAR1MAOATSHRKDM4E
SCHEMBL8804647 0.75 MAOB (0.64) MAOBSIGMAR1MAOATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed