SCHEMBL5505986

SCHEMBL5505986

O=C(NCCCC1CCCC1)C1C2CN(CCC(F)(F)F)CC21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
ALDH1A1 P00352 2/20 0.40
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CHRM4 P08173 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL711122 0.85 EPHX1 (0.45) FPR3FPR2KMT2A
SCHEMBL708612 0.83 FPR3 (0.41) ALDH1A1FPR3FPR2MEN1KMT2A
SCHEMBL712559 0.82 FPR3 (0.43) FPR3FPR2
SCHEMBL710574 0.81 GNAI3 (0.43) FPR3FPR2
SCHEMBL15967367 0.80 CYP2C19 (0.39) ALDH1A1FPR3FPR2
SCHEMBL5505987 0.75 SIGMAR1 (0.36) SIGMAR1
SCHEMBL711457 0.72 FPR3 (0.39) ALDH1A1FPR3FPR2
SCHEMBL708329 0.71 CACNA1H (0.37) FPR3FPR2
SCHEMBL15967264 0.69
SCHEMBL1018678 0.65 ALDH1A1 (0.54) SIGMAR1ALDH1A1ADAMTS4ADAMTS5KEAP1

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