SCHEMBL8124405

SCHEMBL8124405

Cc1[nH]ccc1C1CCNC(c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.34
PAX8 Q06710 1/20 0.33
KDM1A O60341 3/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
HTR2C P28335 2/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BRD4 O60885 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
SCHEMBL8115602 0.92 SLC18A3 (0.38) HTR2CSLC18A3SIGMAR1
SCHEMBL8125702 0.87 PRCP (0.33) MKNK1KDM1A
SCHEMBL8131062 0.84 HTR3A (0.39) MKNK1KDM1ASLC6A3
SCHEMBL8125194 0.84 SLC6A2 (0.32) MKNK1SLC6A3
SCHEMBL8128593 0.82 SLC6A4 (0.36) KDM1AMAOBHTR2CSLC6A3
SCHEMBL8125817 0.79 KDM1A (0.34) KDM1AMAOBHTR2CSLC6A3
SCHEMBL8131566 0.79 SLC6A2 (0.38) NPC1RAB9AHTR2CSIGMAR1SLC6A3
SCHEMBL5773801 0.78 HTR2C (0.35) KDM1AHTR2CSLC6A3
SCHEMBL8126345 0.78 KDM4E (0.33) NPC1RAB9AHTR2CSLC6A3
SCHEMBL8124867 0.78 SLC6A2 (0.36) HTR2CSLC6A3

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