SCHEMBL7968591

SCHEMBL7968591

COc1cccc([C@@H](c2ccc3c(c2)CN(CC(=O)O)CC3)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 1.00

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
SCHEMBL7968595 1.00 OPRD1 (1.00) OPRD1
SCHEMBL7968839 0.90 OPRD1 (0.81) OPRD1
SCHEMBL7968835 0.90 OPRD1 (0.81) OPRD1
SCHEMBL7958067 0.84 OPRD1 (0.73) OPRD1
SCHEMBL7958072 0.84 OPRD1 (0.73) OPRD1
SCHEMBL7968816 0.81 OPRD1 (0.68) OPRD1
SCHEMBL7958084 0.81 OPRD1 (0.68) OPRD1
SCHEMBL7968820 0.81 OPRD1 (0.68) OPRD1
SCHEMBL7958079 0.81 OPRD1 (0.68) OPRD1
Hydrochloric Acid SCHEMBL7958405 0.80 OPRD1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed