SCHEMBL5511226

SCHEMBL5511226

O=C(NCC1C2CN(CC3CCCCC3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.50
KCNH2 Q12809 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
CCR2 P41597 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
CHRM3 P20309 1/20 0.44
MCHR1 Q99705 1/20 0.44
HTR4 Q13639 3/20 0.43
GPR139 Q6DWJ6 1/20 0.42
CHRM4 P08173 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3763868 0.99 SLC6A9 (0.51) SLC6A9KCNH2HDAC6TAS1R3TAS1R1
SCHEMBL3765783 0.95 SLC6A9 (0.49) SLC6A9KCNH2HDAC6TAS1R3TAS1R1
SCHEMBL5505965 0.85 HPGD (0.56) TAS1R3TAS1R1TAS1R2CCR2MEN1
SCHEMBL15967222 0.85 CCR2 (0.52) SLC6A9HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL5507358 0.85 TAS1R3 (0.52) SLC6A9HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL5506744 0.85 NAMPT (0.49) SLC6A9KCNH2TAS1R3TAS1R1TAS1R2
SCHEMBL15967196 0.84 CCR2 (0.53) HDAC6TAS1R3TAS1R1TAS1R2CCR2
SCHEMBL5513140 0.84 HDAC6 (0.51) KCNH2HDAC6TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL710199 0.84 NAMPT (0.48) SLC6A9KCNH2TAS1R3TAS1R1TAS1R2
SCHEMBL5512495 0.83 POLB (0.48) SLC6A9TAS1R3TAS1R1TAS1R2CCR2

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