SCHEMBL15058619

SCHEMBL15058619

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)ccc1Br)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
SCD O00767 6/20 0.41
PREP P48147 1/20 0.39
SCD5 Q86SK9 1/20 0.39
IDO1 P14902 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL15058621 1.00 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3SCD
SCHEMBL15058620 1.00 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3SCD
SCHEMBL16286483 0.86 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3SCD
SCHEMBL16286481 0.86 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3SCD
SCHEMBL15060436 0.86 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL16286601 0.86 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL16286600 0.86 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL16286504 0.83 SCD (0.47) SCDSCD5
SCHEMBL16286503 0.83 SCD (0.47) SCDSCD5
SCHEMBL16023863 0.83 CHRM2 (0.45) GPR119CHRM2CHRM1CHRM3SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
EP-2794608-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS Merck Patent GmbH (DE) 2014-10-29 EP disclosed
EP-2674434-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2013-12-18 EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed