SCHEMBL7704918

SCHEMBL7704918

Cc1ccc2c(c1)C(c1ccccn1)N(C=CC=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HHAT Q5VTY9 1/20 0.36
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 2/20 0.35
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 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
SCHEMBL7698066 0.87 TRPM5 (0.40) ALDH1A1HHATGFERDRD2DRD4
SCHEMBL7700055 0.86 DRD1 (0.41) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL7705532 0.86 HHAT (0.37) HHATPPARG
SCHEMBL7705677 0.86 HHAT (0.37) HHATPPARG
SCHEMBL7698083 0.75 FNTA (0.34)
SCHEMBL7705666 0.74 GAA (0.36) KDM4EGAAPOLBPPARG
SCHEMBL7705731 0.74 TRPM8 (0.36) PPARG
SCHEMBL7702539 0.73 PRCP (0.46) CYP2D6HHAT
SCHEMBL7703410 0.73 PRCP (0.35) HHATDRD2PPARG
SCHEMBL7702996 0.69 TRPM8 (0.39) CYP2D6HHATDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed