SCHEMBL7138997

SCHEMBL7138997

COCc1ccc([C@@H]2NN=Cc3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GID4 Q8IVV7 1/20 0.31
ADRA1A P35348 1/20 0.30
PRCP P42785 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
SCHEMBL7138988 1.00 HTR1A (0.32) HTR1ASLC6A2SLC6A4SLC6A3GID4
SCHEMBL7143994 0.84 MAPK1 (0.37) PRCP
SCHEMBL7143061 0.81 GID4 (0.48) GID4
SCHEMBL4273307 0.81 PRCP (0.45) SLC6A2SLC6A4SLC6A3GID4PRCP
SCHEMBL7138440 0.78 PRCP (0.38) GID4PRCP
SCHEMBL7143984 0.77 HDAC1 (0.33) PRCP
SCHEMBL7145701 0.76 PRCP (0.44) SLC6A2SLC6A4SLC6A3PRCP
SCHEMBL7143821 0.76 KDM1A (0.37) PRCP
SCHEMBL7142187 0.76 PRCP (0.44) PRCP
SCHEMBL7143820 0.76 KDM1A (0.37) PRCP

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-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed