SCHEMBL5771799

SCHEMBL5771799

CCC1CC(c2ncc3nccc-3[nH]2)CC(c2ccccc2)N1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.32
HPGDS O60760 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 SCHEMBL5772618 0.98 SSTR3 (0.31) SSTR3
SCHEMBL5776282 0.88 HPGDS (0.38) SSTR3HPGDSMEN1KMT2A
SCHEMBL5774857 0.88
Hydrochloric Acid SCHEMBL5775084 0.86
Hydrochloric Acid SCHEMBL5775499 0.84 HPGDS (0.32) SSTR3HPGDSMEN1KMT2A
SCHEMBL5772317 0.83 HPGDS (0.32) SSTR3HPGDSMEN1KMT2A
SCHEMBL5775213 0.82 TTK (0.31) HPGDSMEN1KMT2A
SCHEMBL5772122 0.82 HPGDS (0.31) HPGDSMEN1KMT2A
SCHEMBL5773033 0.82 SSTR3 (0.31) SSTR3HPGDSMEN1KMT2A
SCHEMBL5773000 0.81 HPGDS (0.33) SSTR3HPGDSMEN1KMT2A

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