SCHEMBL29088731

SCHEMBL29088731

CCOC(=O)c1cnn(Cc2ccc(OCC3(C(F)(F)F)OCCCO3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.41
▸ PLA2G1B P04054 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ KLKB1 P03952 6/20 0.39
▸ UCHL1 P09936 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MGAT2 Q10469 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35

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
SCHEMBL23804452 0.96 GRM2 (0.42) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL28600199 0.88 KLKB1 (0.39) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL28597555 0.87 KDM4E (0.37) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL21910784 0.86 KLKB1 (0.42) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL28591324 0.86 KLKB1 (0.36) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL21910785 0.86 GRM2 (0.41) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL24236665 0.86 GRM2 (0.37) GRM2SMN1; SMN2KLKB1UCHL1MAOB
SCHEMBL28599703 0.85 FFAR4 (0.37) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL21910783 0.84 GRM2 (0.45) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL29627688 0.84 GRM2 (0.45) GRM2PLA2G1BCYP1A2CYP3A4CYP2D6

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
CN-116896985-A Method for controlling harmful arthropods or harmful linear animals by using levoambamine 住友化学株式会社 2023-10-17 — — CN disclosed
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