SCHEMBL5775154

SCHEMBL5775154

c1ccc(C2CC(c3ncc4nccc-4[nH]3)CC(N3CCN(c4ccccc4)CC3)N2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 5/20 0.32
DRD3 P35462 4/20 0.32
DRD4 P21917 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
DHFR P00374 1/20 0.31
GRIN2B Q13224 1/20 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 SCHEMBL5776047 0.98 LMNA (0.32) LMNAMAPTDRD2DRD3DRD4
SCHEMBL5776282 0.84 HPGDS (0.38)
SCHEMBL5772317 0.79 HPGDS (0.32)
Hydrochloric Acid SCHEMBL5775499 0.78 HPGDS (0.32)
SCHEMBL5773000 0.77 HPGDS (0.33)
SCHEMBL5772122 0.76 HPGDS (0.31)
Hydrochloric Acid SCHEMBL5777908 0.76 HPGDS (0.33)
SCHEMBL5775213 0.76 TTK (0.31)
SCHEMBL5771799 0.76 SSTR3 (0.32) LMNA
SCHEMBL5773033 0.76 SSTR3 (0.31)

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