SCHEMBL9100989

SCHEMBL9100989

CN1CCN(C(=O)O)CCN(C(=O)O)CCN(C(=O)O)CC1C=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.30
P2RX7 Q99572 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
SCHEMBL17064241 0.98 CHRM1 (0.33) CHRM1TSHRP2RX7
SCHEMBL18426930 0.98 CHRM1 (0.33) CHRM1TSHRP2RX7
SCHEMBL26093502 0.78
SCHEMBL23878056 0.77
SCHEMBL23878058 0.77
SCHEMBL6335801 0.77
SCHEMBL18211868 0.75 NR1H2 (0.44)
SCHEMBL18426233 0.75 NR1H2 (0.44)
SCHEMBL8038153 0.75 CHRM1 (0.48) CHRM1TSHRP2RX7
SCHEMBL2379763 0.72 CHRM1 (0.49) CHRM1TSHRP2RX7

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
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP disclosed