SCHEMBL5772223

SCHEMBL5772223

CCCCC1CC(c2ncc3nccc-3[nH]2)CC(C)N1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL5771801 0.99 SSTR3 (0.30) SSTR3
SCHEMBL5775675 0.84 HPGDS (0.32)
Hydrochloric Acid SCHEMBL5772232 0.83 HPGDS (0.31)
Hydrochloric Acid SCHEMBL5777144 0.82
Hydrochloric Acid SCHEMBL5774100 0.79 SSTR3 (0.32) SSTR3
SCHEMBL5769544 0.77
Hydrochloric Acid SCHEMBL5776705 0.75
SCHEMBL5771685 0.74 MEN1 (0.33) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5772547 0.74 MAPT (0.32) MAPTMAPK1
Hydrochloric Acid SCHEMBL5772599 0.73 ALDH1A1 (0.32) SSTR3MAPTHPGD

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