SCHEMBL29965595

SCHEMBL29965595

Brc1ccc(CCCc2ncco2)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.33
▸ GRM2 Q14416 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.30
▸ MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL28685675 1.00 GBA1 (0.33) GBA1GRM2SIRT2CYP1B1MBOAT4
SCHEMBL31637575 0.82 MBOAT4 (0.37) GBA1GRM2CYP1B1MBOAT4
SCHEMBL29348960 0.82 MBOAT4 (0.37) GBA1GRM2CYP1B1MBOAT4
SCHEMBL29966506 0.81 — —
SCHEMBL28937765 0.81 — —
SCHEMBL12526430 0.81 — —
SCHEMBL29378828 0.81 — —
SCHEMBL7029638 0.71 FAAH (0.38) —
SCHEMBL7027055 0.71 FAAH (0.38) —
SCHEMBL7022926 0.71 FAAH (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286623-B Synthesis method of pramipexole and intermediate thereof 深圳湾实验室 2024-09-10 — — CN disclosed
CN-115286623-A Process for synthesis of prochloraz and intermediate thereof 深圳湾实验室 2022-11-04 — — CN disclosed
Send feedback