SCHEMBL8128593

SCHEMBL8128593

Cc1[nH]ccc1C1CCNC(c2ccc3ccccc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 7/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR6 P50406 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KAT2B Q92831 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
SCHEMBL8115602 0.84 SLC18A3 (0.38) SLC6A2HTR2C
SCHEMBL8124405 0.82 MKNK1 (0.34) SLC6A3KDM1AMAOBHTR2C
SCHEMBL8125702 0.82 PRCP (0.33) KDM1A
SCHEMBL8131566 0.81 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3DRD2CYP2D6
SCHEMBL8125817 0.81 KDM1A (0.34) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL8126345 0.81 KDM4E (0.33) SLC6A4SLC6A2SLC6A3MAOAHTR2C
SCHEMBL8124867 0.81 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3HTR6HTR2C
SCHEMBL8124794 0.81 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3HTR6HTR2C
SCHEMBL8125194 0.80 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL8131062 0.80 HTR3A (0.39) SLC6A4SLC6A2SLC6A3KDM1A

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 4 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-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