SCHEMBL7704059

SCHEMBL7704059

Cc1cc(C)cc(CN(C)C(=O)c2cnc(S(C)(=O)=O)nc2-c2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.51
KMT2A Q03164 2/20 0.41
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL7709573 0.78 TACR1 (0.55) TACR1
SCHEMBL6016452 0.77 MYC (0.44) KMT2AALDH1A1POLB
SCHEMBL6016367 0.70 TACR1 (0.47) TACR1KMT2AHSP90AA1HSP90AB1
SCHEMBL5779692 0.67 TACR1 (0.73) TACR1GPBAR1
SCHEMBL5759212 0.66 TACR1 (0.72) TACR1GPBAR1
SCHEMBL5781114 0.66 TACR1 (0.72) TACR1GPBAR1
SCHEMBL6016449 0.65 GPBAR1 (0.38) KMT2AMEN1ALDH1A1GPBAR1
SCHEMBL5966320 0.65 TACR1 (0.72) TACR1KMT2AGPBAR1
SCHEMBL5966363 0.65 TACR1 (0.76) TACR1KMT2AGPBAR1
SCHEMBL5784269 0.65 TACR1 (0.71) TACR1GPBAR1

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-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed