SCHEMBL7705666

SCHEMBL7705666

O=CC=CN1CCc2ccccc2C1c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
PRCP P42785 3/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL7705677 0.87 HHAT (0.37) TRPM8PRCPADRA1DADRA1AADRA1B
SCHEMBL7705532 0.87 HHAT (0.37) TRPM8PRCPADRA1DADRA1AADRA1B
SCHEMBL7705731 0.84 TRPM8 (0.36) TRPM8PRCPCYP19A1ADRA1DADRA1A
SCHEMBL7705909 0.82 CYP19A1 (0.44) TRPM8PRCPCYP19A1CYP11B2KDM4E
SCHEMBL7698083 0.82 FNTA (0.34) PRCP
SCHEMBL7698116 0.81 TRPM8 (0.45) TRPM8PRCPCYP19A1CYP11B2
SCHEMBL7705565 0.81 CHRM3 (0.35) GAAPRCPKDM4EADRA1DADRA1A
SCHEMBL7703410 0.80 PRCP (0.35) TRPM8PRCPCYP11B2ADRA1DADRA1A
SCHEMBL7703888 0.80 PRCP (0.39) TRPM8PRCPADRA1DADRA1AADRA1B
SCHEMBL7704881 0.78 CYP19A1 (0.44) GAACYP19A1KDM4E

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