SCHEMBL6172848

SCHEMBL6172848

COc1cnc2ccccc2c1C(C)C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
P2RX3 P56373 5/20 0.37
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
SCHEMBL6175139 0.90 LMNA (0.38) LMNAP2RX3GABRPGABRDGABRA1
SCHEMBL6174256 0.88 LMNA (0.36) LMNAIGF1R
SCHEMBL6174667 0.88 LMNA (0.36) LMNAIGF1R
SCHEMBL6174684 0.80 P2RX3 (0.35) P2RX3GABRPGABRDGABRA1GABRB1
SCHEMBL6176192 0.79 P2RX3 (0.36) LMNAP2RX3HCRTR1HCRTR2IGF1R
SCHEMBL6171781 0.79 P2RX3 (0.36) LMNAP2RX3HCRTR1HCRTR2IGF1R
SCHEMBL6175754 0.76 LMNA (0.39) LMNAIGF1R
SCHEMBL6175824 0.76 LMNA (0.39) LMNAIGF1RP2RX7
SCHEMBL6171605 0.76 LMNA (0.39) LMNAIGF1R
SCHEMBL6172638 0.76 LMNA (0.39) LMNAIGF1R

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed