SCHEMBL9424923

SCHEMBL9424923

NC(CO)C(O)c1cccc(C#CCCCCCc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50

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
SCHEMBL9424905 0.95 GRM5 (0.55) GRM5
Water SCHEMBL7684885 0.94 GRM5 (0.54) GRM5
Maleic Acid SCHEMBL7689292 0.93 GRM5 (0.44) GRM5
SCHEMBL9424635 0.85
Water SCHEMBL7688869 0.84
SCHEMBL7680381 0.81 GRM5 (0.47) GRM5
Maleic Acid SCHEMBL7687399 0.80
SCHEMBL9424996 0.80 KCNH2 (0.41)
Water SCHEMBL7680601 0.79 KCNH2 (0.41)
SCHEMBL7678384 0.76 GRM5 (0.51) GRM5

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
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 US claimed