SCHEMBL9733234

SCHEMBL9733234

O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCCCC2N1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ FKBP1A P62942 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL14605637 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL5461273 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL6871388 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL2178522 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL9169159 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL13314011 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14605828 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL13889276 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14117906 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14117911 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175306-A Intermediates for hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-29 — — US claimed
EP-0115345-B1 PROCESS FOR THE RESOLUTION OF RACEMIC OPTICALLY ACTIVE BICYCLIC IMINO-ALPHA-CARBOXYLIC ACID ESTERS AND USE OF THE COMPOUNDS OBTAINABLE IN THIS WAY FOR THE SYNTHESIS OF CARBOXYALKYL DIPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-07 — — EP claimed
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 — — US disclosed
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