SCHEMBL5505965

SCHEMBL5505965

O=C(NCC1C2CN(CC3CCCO3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLS O94925 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.45
CCR2 P41597 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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 0.86 SLC6A9 (0.51) POLBGLSKMT2ACCR2TAS1R3
SCHEMBL3765783 0.86 SLC6A9 (0.49) CCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5511226 0.85 SLC6A9 (0.50) POLBKMT2ACCR2TAS1R3TAS1R1
SCHEMBL5506744 0.82 NAMPT (0.49) CCR2TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL710199 0.81 NAMPT (0.48) CCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5505967 0.81 ATM (0.47) GLSATML3MBTL1KMT2ALMNA
SCHEMBL5512495 0.80 POLB (0.48) POLBCCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5507358 0.80 TAS1R3 (0.52) HPGDRAB9ACCR2TAS1R3TAS1R1
SCHEMBL5506742 0.80 TAS1R3 (0.49) HPGDRAB9ACCR2TAS1R3TAS1R1
SCHEMBL5510188 0.80 HTR4 (0.47) HPGDRAB9ACYP2C9CYP2C19GLS

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