SCHEMBL22015664

SCHEMBL22015664

Cc1ccc2c(C(C)(C)NC=O)nn(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
SSTR4 P31391 10/20 0.40
SSTR1 P30872 5/20 0.36
NAMPT P43490 3/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SSTR2 P30874 4/20 0.33
SSTR3 P32745 4/20 0.33
SSTR5 P35346 4/20 0.33
LMNA P02545 1/20 0.32
GRM4 Q14833 1/20 0.31
CYP2D6 P10635 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL22015693 0.85 SSTR4 (0.55) KDM4CSSTR4SSTR1SSTR2SSTR3
SCHEMBL22015610 0.81 SSTR4 (0.51) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL18538064 0.79 ADORA2A (0.41) KDM4CSSTR4SSTR1NAMPTADORA2A
SCHEMBL5986727 0.74 GRM4 (0.44) KDM4CADORA2AADORA2BLMNAGRM4
SCHEMBL22015661 0.69 SSTR4 (0.55) SSTR4SSTR1
SCHEMBL22015383 0.69 SSTR4 (0.55) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL22015975 0.69 SSTR4 (0.55) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL11804 0.68 ADORA2A (0.63) KDM4CNAMPTADORA2AADORA2BGRM4
SCHEMBL22015373 0.67 SSTR4 (0.56) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL18538063 0.66 MEN1 (0.37) SSTR4NAMPTADORA2AADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed