SCHEMBL5773801

SCHEMBL5773801

Cc1[nH]ccc1C1CCNC(c2ccccc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM1A O60341 3/20 0.34
SLC6A4 P31645 7/20 0.33
HTR1A P08908 6/20 0.33
SLC6A2 P23975 6/20 0.33
SLC6A3 Q01959 4/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR6 P50406 1/20 0.33
HCRTR2 O43614 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL8116600 0.87 CHRNB2 (0.35) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8125377 0.85 KDM1A (0.36) HTR2CKDM1ASLC6A4HTR1ASLC6A2
SCHEMBL8115602 0.82 SLC18A3 (0.38) HTR2CMEN1KMT2ASLC6A2
SCHEMBL8125194 0.80 SLC6A2 (0.32) SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8125817 0.80 KDM1A (0.34) HTR2CKDM1ASLC6A4HTR1ASLC6A2
SCHEMBL8124794 0.79 SLC6A2 (0.36) HTR2CSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8124405 0.78 MKNK1 (0.34) HTR2CKDM1ASLC6A3
SCHEMBL8125702 0.77 PRCP (0.33) KDM1A
SCHEMBL8128593 0.76 SLC6A4 (0.36) HTR2CKDM1ASLC6A4SLC6A2SLC6A3
SCHEMBL8131062 0.75 HTR3A (0.39) KDM1ASLC6A4SLC6A2SLC6A3

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-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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed