SCHEMBL5773252

SCHEMBL5773252

CC1CC(c2ncc3nccc-3[nH]2)CC(c2ccc(-c3ccccc3)cc2)N1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.34
SSTR3 P32745 5/20 0.32
TTK P33981 1/20 0.32
NPY5R Q15761 1/20 0.32
BRAF P15056 1/20 0.32
PRCP P42785 1/20 0.31
KCNH2 Q12809 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 SCHEMBL5769423 0.98 HPGDS (0.33) HPGDSSSTR3TTKNPY5RBRAF
Hydrochloric Acid SCHEMBL5775499 0.92 HPGDS (0.32) HPGDSSSTR3
SCHEMBL5771685 0.88 MEN1 (0.33)
SCHEMBL5776282 0.87 HPGDS (0.38) HPGDSSSTR3TTKNPY5RBRAF
SCHEMBL5774723 0.87 ALDH1A1 (0.32) SSTR3KCNH2
SCHEMBL5772547 0.87 MAPT (0.32)
Hydrochloric Acid SCHEMBL5772599 0.86 ALDH1A1 (0.32) SSTR3KCNH2
Hydrochloric Acid SCHEMBL5772584 0.86 MAPT (0.32)
SCHEMBL5770939 0.85 CYP2D6 (0.30) KCNH2
Hydrochloric Acid SCHEMBL5771127 0.83

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 5 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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
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 disclosed