SCHEMBL5771094

SCHEMBL5771094

NCCCc1nc(C2CCNC(c3ccccc3)C2)c2nccc-2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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 SCHEMBL7182724 0.99 PARP1 (0.30) PARP1PARP2
SCHEMBL5773246 0.89 CHRNA7 (0.34)
Hydrochloric Acid SCHEMBL5772701 0.87 CHRNA7 (0.33)
SCHEMBL5774286 0.83 STK17A (0.30)
SCHEMBL5773791 0.82 ACHE (0.30)
Hydrochloric Acid SCHEMBL5775502 0.81 NOS1 (0.34)
Hydrochloric Acid SCHEMBL5775437 0.81
Hydrochloric Acid SCHEMBL5776452 0.81
SCHEMBL5774419 0.81 PTPN11 (0.30)
Hydrochloric Acid SCHEMBL5774721 0.79

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