SCHEMBL11249449

SCHEMBL11249449

O=C(O)[C@@H]1CC(Cc2ccncc2)CN1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.49
ARG1 P05089 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
F2 P00734 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL31080873 1.00 GRIK1 (0.49) GRIK1ARG1ALDH1A1MAPTHSD17B10
SCHEMBL31080835 1.00 GRIK1 (0.49) GRIK1ARG1ALDH1A1MAPTHSD17B10
SCHEMBL11249450 1.00 GRIK1 (0.49) GRIK1ARG1ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL11250863 0.87 F2 (0.41) GRIK1ARG1HRH3F2CYP19A1
SCHEMBL199035 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2
SCHEMBL22536533 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2
SCHEMBL199034 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2
SCHEMBL19292680 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2
SCHEMBL1706921 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2
SCHEMBL3190846 0.86 HRH3 (0.54) GRIK1ARG1HRH3F2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 CN disclosed
EP-4135738-A2 METHOD OF TREATING CORONAVIRUS INFECTIONS Cohbar Inc. (US) 2023-02-22 EP disclosed
EP-4058465-A1 CXCR4 ANTAGONIST PEPTIDES Cohbar Inc. (US) 2022-09-21 EP disclosed
EP-4013440-A1 THERAPEUTIC PEPTIDES Cohbar Inc. (US) 2022-06-22 EP disclosed
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 CN disclosed
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 CN disclosed
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed