SCHEMBL9197318

SCHEMBL9197318

CCCCC(c1cccc2c1NC(C(=O)O)C(C)=C2)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL7348377 0.77 GAA (0.37) OPRD1SMYD3
SCHEMBL7346880 0.69 OXER1 (0.36) OPRD1SMYD3
SCHEMBL7357794 0.67 CNR2 (0.35) OPRD1SMYD3
SCHEMBL9196790 0.67 CNR2 (0.42) OPRD1
SCHEMBL7351455 0.65 SLC6A2 (0.34) OPRD1
SCHEMBL7333320 0.62 SLC6A4 (0.34) OPRD1SMYD3
Hydrochloric Acid SCHEMBL9198794 0.62 SLC6A4 (0.36) OPRD1SMYD3
SCHEMBL7347484 0.61 SLC6A2 (0.35)
SCHEMBL8129252 0.59 FFAR1 (0.44) OPRD1SMYD3
Hydrochloric Acid SCHEMBL28034689 0.59 CPN1 (0.57) OPRD1

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
EP-0664805-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP claimed
EP-0664805-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed