SCHEMBL5774419

SCHEMBL5774419

CN(C)c1nc(C2CCNC(c3ccccc3)C2)c2nccc-2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.30
PRCP P42785 2/20 0.30

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
Hydrochloric Acid SCHEMBL5774721 0.98
SCHEMBL5773246 0.83 CHRNA7 (0.34)
SCHEMBL5776304 0.83 PRCP (0.32) PRCP
Hydrochloric Acid SCHEMBL5773972 0.83
Hydrochloric Acid SCHEMBL5775502 0.82 NOS1 (0.34) PRCP
Hydrochloric Acid SCHEMBL5772701 0.82 CHRNA7 (0.33)
Hydrochloric Acid SCHEMBL5775517 0.81 MMP12 (0.32) PRCP
SCHEMBL5770932 0.81 PKM (0.32) PTPN11PRCP
SCHEMBL5771094 0.81 PARP1 (0.31)
Hydrochloric Acid SCHEMBL7182724 0.80 PARP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US claimed