SCHEMBL7963644

SCHEMBL7963644

Cc1nc(N2CCCC(O)C2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
NPY5R Q15761 6/20 0.43
PIM1 P11309 4/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
SYK P43405 1/20 0.39
LRRK2 Q5S007 2/20 0.39
ADORA2A P29274 1/20 0.38

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 SCHEMBL5798034 0.98 KDM4E (0.45) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL5775242 0.94 NPY5R (0.49) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL7961165 0.87 NPY5R (0.56) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL5771952 0.87 KMT2A (0.45) KMT2AALDH1A1POLBNPY5RSYK
SCHEMBL5773349 0.85 NPY5R (0.52) KDM4EKMT2AL3MBTL1NPY5R
SCHEMBL5771896 0.85 NPY5R (0.52) KDM4EKMT2AL3MBTL1NPY5R
Hydrochloric Acid SCHEMBL5773755 0.85 NPY5R (0.54) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL5773681 0.84 NPY5R (0.54) KDM4EKMT2AL3MBTL1NPY5R
Hydrochloric Acid SCHEMBL5777287 0.83 NPY5R (0.50) KDM4EKMT2AL3MBTL1NPY5R
Hydrochloric Acid SCHEMBL5776807 0.83 NPY5R (0.50) KDM4EKMT2AL3MBTL1NPY5R

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
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-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP claimed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO claimed