SCHEMBL30828014

SCHEMBL30828014

O=C1c2cccnc2[C@H](O)CC[C@H]1c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.45
CYP19A1 P11511 1/20 0.38

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
SCHEMBL12801798 1.00 P2RX7 (0.45) P2RX7CYP19A1
SCHEMBL1670637 1.00 P2RX7 (0.45) P2RX7CYP19A1
SCHEMBL828687 0.85 CYP19A1 (0.38) P2RX7CYP19A1
SCHEMBL12801795 0.83 P2RX7 (0.41) P2RX7
SCHEMBL829272 0.78 HTR1A (0.35) P2RX7CYP19A1
SCHEMBL31463313 0.78 HTR1A (0.35) P2RX7CYP19A1
SCHEMBL830235 0.78 HTR1A (0.35) P2RX7CYP19A1
SCHEMBL15674592 0.78 HTR1A (0.35) P2RX7CYP19A1
SCHEMBL15674591 0.78 HTR1A (0.35) P2RX7CYP19A1
SCHEMBL828719 0.75 ACHE (0.36) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119955757-A Solvent-tolerant transaminase mutant, genetically engineered bacterium and application of transaminase mutant and genetically engineered bacterium in preparation of retipam intermediate 浙江工业大学 2025-05-09 CN claimed
CN-119955757-A Solvent-tolerant transaminase mutant, genetically engineered bacterium and application of transaminase mutant and genetically engineered bacterium in preparation of retipam intermediate 浙江工业大学 2025-05-09 CN disclosed
CN-117802178-A Method for preparing zimetapam by chemical-enzymatic method 尚科生物医药(上海)有限公司 2024-04-02 CN disclosed