SCHEMBL7701032

SCHEMBL7701032

O=CC=CN1CCc2ccccc2C1c1ccc(Cl)nc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TRPM8 Q7Z2W7 4/20 0.37
ALDH1A1 P00352 1/20 0.36
PRCP P42785 3/20 0.36
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7702996 0.86 TRPM8 (0.39) TRPM8PRCPCHRM3
SCHEMBL7700015 0.86 TRPM8 (0.39) TRPM8PRCPCHRM3
SCHEMBL7704956 0.84 CHRM3 (0.47) PRCPCHRM3
SCHEMBL7704900 0.84 TRPM8 (0.37) TRPM8PRCPCHRM3
SCHEMBL7701159 0.84 TRPM8 (0.39) HPGDTRPM8ALDH1A1PRCPCHRM3
SCHEMBL7701133 0.81 PRCP (0.54) PRCPCHRM3
SCHEMBL7699769 0.81 PRCP (0.37) TRPM8PRCPCHRM3
SCHEMBL7705909 0.81 CYP19A1 (0.44) HPGDTRPM8PRCP
SCHEMBL7703888 0.81 PRCP (0.39) TRPM8PRCPCHRM3
SCHEMBL7698116 0.80 TRPM8 (0.45) TRPM8PRCP

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 3 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
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed