SCHEMBL7698116

SCHEMBL7698116

O=CC=CN1CCc2ccccc2C1c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.45
PRCP P42785 3/20 0.43
RECQL P46063 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HHAT Q5VTY9 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7701133 0.89 PRCP (0.54) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7699769 0.86 PRCP (0.37) TRPM8PRCPHDAC8HDAC3HDAC1
SCHEMBL7705909 0.86 CYP19A1 (0.44) TRPM8PRCPCYP19A1CYP11B2HDAC8
SCHEMBL7703888 0.86 PRCP (0.39) TRPM8PRCPHDAC8HDAC3HDAC1
SCHEMBL7704956 0.85 CHRM3 (0.47) PRCPRECQLHDAC8HDAC3HDAC1
SCHEMBL7702539 0.85 PRCP (0.46) TRPM8PRCPHDAC8HDAC3HDAC1
SCHEMBL7705610 0.84 TRPM8 (0.53) TRPM8HDAC8HDAC3HDAC1NCOR2
SCHEMBL7699278 0.84 HDAC1 (0.51) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL7702106 0.83 TAOK1 (0.40) TRPM8PRCPCYP19A1CYP11B2
SCHEMBL7705731 0.83 TRPM8 (0.36) TRPM8PRCPCYP19A1

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