SCHEMBL15475484

SCHEMBL15475484

CC1=C[N]C(C(C)C)=N1

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
SCHEMBL7009257 0.69
SCHEMBL10462133 0.61
SCHEMBL622864 0.56
SCHEMBL10463561 0.56
SCHEMBL1543593 0.56
SCHEMBL18658893 0.48
SCHEMBL812324 0.47
SCHEMBL14788285 0.47
SCHEMBL6203905 0.46 TYR (0.55)
SCHEMBL3234036 0.46 GABRA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895489-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-10-18 EP disclosed
EP-2885299-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-05 EP disclosed
US-9464085-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-11 US disclosed
US-9388180-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2016-07-12 US disclosed
EP-2895489-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-22 EP disclosed
US-20140107126-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-04-17 US disclosed
WO-2014041175-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2014-03-20 WO disclosed
US-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 US disclosed