SCHEMBL3839501

SCHEMBL3839501

[C]1NCCN2CCN=C12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL960885 0.61
SCHEMBL8414879 0.58
SCHEMBL9398151 0.55 KDM4E (0.31)
SCHEMBL8065689 0.53
Hydrochloric Acid SCHEMBL17867607 0.52 INMT (0.47)
SCHEMBL9117477 0.48
SCHEMBL1229731 0.46 HRH1 (0.85)
SCHEMBL15748040 0.46 HRH1 (0.61)
SCHEMBL1316573 0.45 NOS1 (0.40)
SCHEMBL56632 0.37

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116541-B1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 EP disclosed
EP-1753748-B1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PROD INC (US) 2009-07-29 EP disclosed
US-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
US-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 US disclosed
EP-1753748-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS Pfizer Products Inc. (US) 2007-02-21 EP disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US disclosed
WO-2006008644-A1 ANTIDIABETIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-26 WO disclosed
WO-2005116014-A1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 US disclosed