SCHEMBL9792832

SCHEMBL9792832

C=CCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.64
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL17294711 0.82 CHRM3 (0.70) CHRM3
SCHEMBL14461281 0.81 CHRM3 (0.70) CHRM3
SCHEMBL21944054 0.81 CHRM3 (0.70) CHRM3
SCHEMBL13640493 0.81 CHRM3 (0.74) CHRM3
SCHEMBL6707398 0.80 CHRM3 (0.76) CHRM3
SCHEMBL27681368 0.79 CHRM3 (0.74) CHRM3
SCHEMBL10517247 0.79 CHRM3 (0.71) CHRM3
SCHEMBL1088155 0.79 CHRM3 (1.00) CHRM3
SCHEMBL11477872 0.78 CHRM3 (0.63) CHRM3
SCHEMBL10517355 0.74 CHRM3 (0.67) CHRM3

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
US-5047413-A Urogenital disorders SCHAPER & BRUEMMER GMBH & CO., KG (DE) 1991-09-10 US disclosed
US-4933459-A Pharmaceuticals containing acylated benzilic acid derivatives for influencing the tone of the urinary bladder SCHAPER & BRUEMMER GMBH & CO., KG (DE) 1990-06-12 US disclosed