SCHEMBL5506350

SCHEMBL5506350

CN(Cc1ccsc1)C(=O)CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
SLC6A9 P48067 6/20 0.40
KCNH2 Q12809 5/20 0.40
CHRM3 P20309 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
NAMPT P43490 1/20 0.39
PDK1 Q15118 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MCHR1 Q99705 2/20 0.37
FYN P06241 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
DDR1 Q08345 2/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL15967025 0.89 GPR139 (0.44) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5504629 0.86 GAA (0.41) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5506353 0.86 SLC6A9 (0.43) SLC6A9KCNH2PDK1NPC1RAB9A
SCHEMBL15966927 0.85 NAMPT (0.44) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5517992 0.85 NAMPT (0.46) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5509495 0.83 CCR2 (0.44) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5510565 0.83 POLB (0.40) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5510550 0.83 GPR139 (0.43) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5530668 0.81 NAMPT (0.46) CCR2SLC6A9KCNH2CHRM3GPR139
SCHEMBL5504910 0.81 SLC6A9 (0.42) CCR2SLC6A9CHRM3GPR139NAMPT

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed