SCHEMBL27726409

SCHEMBL27726409

Cc1cccc([C@H](COC(=O)C(C)(C)C)NC2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.36
SSTR1 P30872 2/20 0.36
CHRM3 P20309 2/20 0.36
HTR2C P28335 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KHK P50053 1/20 0.34

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
SCHEMBL27726346 0.88 SLC6A4 (0.46) SSTR4SSTR1CHRM3SLC6A2SLC6A4
SCHEMBL27747201 0.88 SOS1 (0.41) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL27594935 0.70 SSTR4 (0.40) SSTR4SSTR1CHRM3SLC6A2SLC6A4
SCHEMBL5576460 0.68 GPR119 (0.54)
SCHEMBL11558993 0.65 GLS (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL28818065 0.64 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL8084473 0.63 SOS1 (0.53) SLC6A2SLC6A4
SCHEMBL27846270 0.63 PRKCA (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL279972 0.62 NPC1 (0.74) KHK
Hydrochloric Acid SCHEMBL23722033 0.62 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4SLC6A3

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
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed