SCHEMBL5773000

SCHEMBL5773000

c1ccc(C2CC(c3ncc4nccc-4[nH]3)CC(C3CC3)N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.33
SSTR3 P32745 4/20 0.32
KCNH2 Q12809 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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 SCHEMBL5777908 0.99 HPGDS (0.33) HPGDSSSTR3KCNH2MEN1KMT2A
SCHEMBL5776282 0.89 HPGDS (0.38) HPGDSSSTR3KCNH2MEN1KMT2A
SCHEMBL5775289 0.89 SSTR3 (0.31) SSTR3KCNH2
Hydrochloric Acid SCHEMBL5775203 0.87 SSTR3 (0.31) SSTR3KCNH2
SCHEMBL5772317 0.84 HPGDS (0.32) HPGDSSSTR3KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL5775499 0.83 HPGDS (0.32) HPGDSSSTR3MEN1KMT2A
Hydrochloric Acid SCHEMBL5777261 0.81 HPGDS (0.39) HPGDSSSTR3KCNH2MEN1KMT2A
SCHEMBL5772122 0.81 HPGDS (0.31) HPGDSMEN1KMT2A
SCHEMBL5771799 0.81 SSTR3 (0.32) HPGDSSSTR3MEN1KMT2A
SCHEMBL5775213 0.81 TTK (0.31) HPGDSMEN1KMT2A

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