SCHEMBL5961492

SCHEMBL5961492

NCC1CCN2CCCC12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 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
SCHEMBL16757063 0.93 TDP1 (0.57) TDP1
SCHEMBL15769635 0.89 TDP1 (0.64) TDP1
SCHEMBL6393609 0.89 TDP1 (0.64) TDP1
SCHEMBL15783533 0.89 TDP1 (0.64) TDP1
SCHEMBL15783526 0.89 TDP1 (0.64) TDP1
SCHEMBL15783527 0.89 TDP1 (0.64) TDP1
Hydrochloric Acid SCHEMBL16143332 0.87 TDP1 (0.62) TDP1
SCHEMBL12714711 0.86 TDP1 (0.55) TDP1
SCHEMBL11529203 0.86 TDP1 (0.61) TDP1
SCHEMBL12714714 0.86 TDP1 (0.61) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 — — US disclosed
EP-0731090-B1 Process for the production of 3,(4)-substituted pyrrolidines BAYER MATERIALSCIENCE AG (DE) 2004-05-06 — — EP disclosed
EP-0499873-B1 Use of 3,(4)-substituted pyrrozidines as catalysts in the polyisocyanate-polyaddition process and a process for the preparation of polyurethanes and polyureas BAYER AG (DE) 2000-11-22 — — EP disclosed
US-5627190-A TREATMENT OF ANXIETY, PSYCHOSES, DEPRESSION, ORGASTROINTESTINAL DISORDERS, 5-HYDROXYTRYPTAMINE ANTAGONISTS G. D. SEARLE & CO. (US) 1997-05-06 — — US disclosed
EP-0731090-A2 Process for the production of 3,(4)-substituted pyrrolidines BAYER AG (DE) 1996-09-11 — — EP disclosed
EP-0417746-B1 N-Azabicyclo/3.3.0/octane amides of aromatic acids SEARLE & CO (US) 1994-11-23 — — EP disclosed
US-5318977-A New meso-azacyclic aromatic acid amides and esters as novel serotonergic agents G. D. SEARLE & CO. (US) 1994-06-07 — — US disclosed
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 — — WO disclosed
US-5274114-A Preparation and use of 3, (4)-substituted pyrrolidines as catalysts for the polyisocyanate polyaddition process BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
EP-0528026-A1 NEW MESO-AZACYCLIC AROMATIC ACID AMIDES AND ESTERS AS NOVEL SEROTONERGIC AGENTS G.D. SEARLE & CO. (US) 1993-02-24 — — EP disclosed
EP-0499873-A2 Use of 3,(4)-substituted pyrrozidines as catalysts in the polyisocyanate-polyaddition process, process for their preparation and a process for the preparation of polyurethanes and polyureas BAYER AG (DE) 1992-08-26 — — EP disclosed
US-5126343-A Antiserotonine agents; gastrointestinal disorders G. D. SEARLE & CO. (US) 1992-06-30 — — US disclosed
EP-0417746-A2 N-Azabicyclo/3.3.0/octane amides of aromatic acids G.D. Searle & Co. (US) 1991-03-20 — — EP disclosed
US-4992461-A Treating gastrointestinal disorders G. D. SEARLE & CO. (US) 1991-02-12 — — US disclosed
EP-0345712-A1 Pyrrolizine derivate and its manufacture SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-12-13 — — EP disclosed
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