SCHEMBL6450346

SCHEMBL6450346

COc1ccccc1C1CNCCN1C(=[N])N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.51
HTR2A P28223 6/20 0.51
HTR2B P41595 6/20 0.51
TAAR1 Q96RJ0 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
USP19 O94966 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL30593287 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BTAAR1HTR3E
SCHEMBL14698726 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BTAAR1HTR3E
SCHEMBL8911446 0.80 HTR2C (0.53) HTR2CHTR2AHTR2BTAAR1HTR3E
SCHEMBL5915126 0.73 DRD2 (0.51) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL17372630 0.72 HTR2C (0.58) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632245 0.72 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632250 0.72 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632254 0.72 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632262 0.72 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
SCHEMBL9527372 0.72 HTR2C (0.46) HTR2CHTR2AHTR2BTAAR1HTR3E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP claimed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO claimed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP disclosed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed