SCHEMBL5776818

SCHEMBL5776818

CC1CC(c2ncc3ncc(-c4ccccc4)c-3[nH]2)CC(c2ccccc2)N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.35
HPGDS O60760 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRNA7 P36544 1/20 0.30
KCNH2 Q12809 1/20 0.30
CHRNA3 P32297 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 SCHEMBL5773710 0.98 USP30 (0.34) USP30
SCHEMBL5776561 0.86 MEN1 (0.31) MEN1KMT2A
SCHEMBL5772664 0.85 MEN1 (0.31) MEN1KMT2A
SCHEMBL5774485 0.85 MEN1 (0.31) MEN1KMT2A
Hydrochloric Acid SCHEMBL5775252 0.84 MEN1 (0.30) MEN1KMT2A
Hydrochloric Acid SCHEMBL5807142 0.84 MEN1 (0.30) MEN1KMT2A
Hydrochloric Acid SCHEMBL5776956 0.84 MEN1 (0.30) MEN1KMT2A
SCHEMBL5771501 0.83 LMNA (0.30)
SCHEMBL5771222 0.83 USP30 (0.38) USP30HPGDSCHRNB2CHRNA4CHRNA3
SCHEMBL5771084 0.82 SMN1; SMN2 (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 3 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 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