SCHEMBL6046221

SCHEMBL6046221

O=C(O)[C@@H]1CC(F)(F)CN1.O=C(O)[C@@H]1CC(F)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
ALOX15 P16050 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
CTSC P53634 4/20 0.39
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK5 Q16478 1/20 0.36
ARG1 P05089 1/20 0.34
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 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
SCHEMBL40623 0.84 CYP1A2 (0.53) CYP1A2ALOX15CYP2D6CYP2C19SLC1A3
SCHEMBL40622 0.84 CYP1A2 (0.53) CYP1A2ALOX15CYP2D6CYP2C19SLC1A3
SCHEMBL3145095 0.84 CYP1A2 (0.53) CYP1A2ALOX15CYP2D6CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL1269592 0.82 CYP1A2 (0.52) CYP1A2ALOX15CYP2D6CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL1269590 0.82 CYP1A2 (0.52) CYP1A2ALOX15CYP2D6CYP2C19SLC1A3
SCHEMBL661917 0.82
SCHEMBL187963 0.82
SCHEMBL901476 0.82
SCHEMBL900297 0.82
SCHEMBL16635328 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed