SCHEMBL27352091

SCHEMBL27352091

COc1ccc(C(O)(c2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ HRH1 P35367 1/20 0.73
▸ SCN1A P35498 1/20 0.73
▸ SCN2A Q99250 1/20 0.73
▸ SCN3A Q9NY46 1/20 0.73
▸ NPY2R P49146 4/20 0.57
▸ CYP19A1 P11511 1/20 0.52
▸ CYP2J2 P51589 1/20 0.50
▸ ALOX12 P18054 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KIF11 P52732 1/20 0.42

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
SCHEMBL9787010 0.94 MEN1 (0.62) LMNAMEN1KMT2ACYP2D6HRH1
Azacyclonol SCHEMBL241817 0.86 HRH1 (1.00) LMNAMEN1KMT2ACYP2D6HRH1
SCHEMBL27960702 0.85 CYP19A1 (0.51) LMNAMEN1KMT2ACYP2D6HRH1
SCHEMBL12848015 0.85 CYP19A1 (0.70) LMNAMEN1KMT2ACYP2D6HRH1
Azacyclonol SCHEMBL6135637 0.84 HRH1 (0.96) LMNAMEN1KMT2ACYP2D6HRH1
Azacyclonol SCHEMBL1890138 0.84 HRH1 (0.96) LMNAMEN1KMT2ACYP2D6HRH1
SCHEMBL11831606 0.83 HRH1 (0.81) LMNAMEN1KMT2ACYP2D6HRH1
SCHEMBL11832155 0.83 CYP2D6 (0.81) LMNAMEN1KMT2ACYP2D6HRH1
Azacyclonol SCHEMBL1648657 0.82 HRH1 (0.93) LMNAMEN1KMT2ACYP2D6HRH1
SCHEMBL9253675 0.82 NPY2R (0.57) LMNAMEN1KMT2ACYP2D6HRH1

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-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 — — CN disclosed
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