SCHEMBL10856644

SCHEMBL10856644

CC(CBr)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TLR2 O60603 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SCN4A P35499 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL28911945 0.85 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL675798 0.85 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL333102 0.85 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL2706462 0.85 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL2422874 0.85 PRCP (0.35) PRCPDPP7TLR2
SCHEMBL11557434 0.84 REN (0.35) PRCPDPP7CYP3A4CYP2D6CYP1A2
SCHEMBL11559061 0.84 PRCP (0.35) PRCPDPP7CYP3A4CYP2D6CYP1A2
SCHEMBL11559258 0.82 NOS2 (0.38) PRCPDPP7CYP3A4CYP2D6CYP1A2
SCHEMBL7377621 0.82 DPP7 (0.36) PRCPDPP7CYP3A4CYP2D6CYP1A2
SCHEMBL9592134 0.82 NOS2 (0.37) PRCPDPP7CYP3A4CYP2D6CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035336-B1 NOVEL PROCESSES FOR PREPARING PROLINE DERIVATIVES AND ANALOGOUS COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1986-04-09 — — EP disclosed
US-4578480-A ANGIOTENSIN CONVERTING ENZYME INHUBITOR INTERMEDIATES JOHN WYETH & BROTHER LIMITED (GB) 1986-03-25 — — US disclosed
US-4506082-A DEESTERIFICATION WITH TRIFLUOROACETIC ACID JOHN WYETH & BROTHER LIMITED (GB) 1985-03-19 — — US disclosed
US-4391752-A Process for preparing 5H-pyrrolo[2,1-c]-[1,4]thiazepine-1,5-diones JOHN WYETH AND BROTHER LIMITED (GB) 1983-07-05 — — US disclosed
US-4349480-A Process for preparing 1-(3-bromo-2-alkylpropanoyl-L-proline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1982-09-14 — — US disclosed
EP-0035336-A2 Novel processes for preparing proline derivatives and analogous compounds JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 — — EP disclosed
US-4181663-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-01-01 — — US disclosed
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