SCHEMBL20057

SCHEMBL20057

Cc1ccc(P(c2ccccc2)c2ccccc2)c2c1C(C)c1cccc(P(c3ccccc3)c3ccccc3)c1O2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.47
TOP1 P11387 2/20 0.32

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
SCHEMBL995579 0.83 DRD1 (0.43) DRD1
SCHEMBL31720463 0.74 DRD1 (0.54) DRD1TOP1
SCHEMBL14520747 0.71 DRD1 (0.36) DRD1TOP1
SCHEMBL31209922 0.70 DRD1 (0.33) DRD1
SCHEMBL6599505 0.69 GRM2 (0.37) DRD1
SCHEMBL10016842 0.65 DRD1 (0.85) DRD1
SCHEMBL6953 0.64 DRD1 (1.00) DRD1
SCHEMBL12446814 0.64 DRD1 (0.57) DRD1
SCHEMBL29351143 0.64 DRD1 (1.00) DRD1
SCHEMBL29359136 0.64 DRD1 (1.00) DRD1

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
US-9382281-B2 Nickel pre-catalysts and related compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-05 US disclosed
EP-2719696-A1 NOVEL KINASE INHIBITORS Asinex Limited (RU) 2014-04-16 EP disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 WO disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
EP-2079733-A2 5- AND 6-SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008070354-A2 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed