SCHEMBL9404490

SCHEMBL9404490

FC(F)(F)c1cccc2c1c(N1CCOCC1)nc1c(-c3nc(C4CC4)no3)ncn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HTR4 Q13639 2/20 0.34
PIK3CA P42336 4/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
MTOR P42345 2/20 0.33
LMNA P02545 2/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL9429534 0.90 SCN3A (0.34) OPRK1TSHRHTR4LMNACNR2
SCHEMBL9404548 0.90 HRH4 (0.39) CYP1A2CYP3A4TSHRCYP2C19CYP2D6
SCHEMBL9404451 0.88 OPRK1 (0.37) OPRK1POLBUSP30HTR4KDM4E
SCHEMBL7329892 0.86 KDM4E (0.39) OPRK1POLBUSP30HTR4PIK3CA
SCHEMBL9430270 0.86 OPRK1 (0.41) OPRK1POLBUSP30HTR4LMNA
SCHEMBL9404293 0.86 USP30 (0.38) OPRK1POLBCYP2D6USP30HTR4
SCHEMBL7321007 0.83 HTR4 (0.43) OPRK1POLBCYP1A2CYP3A4CYP2D6
SCHEMBL9430240 0.79 HRH4 (0.39) OPRK1CYP2D6HTR4CNR2
SCHEMBL9404271 0.79 OPRK1 (0.38) OPRK1USP30HTR4
SCHEMBL9404530 0.79 PDE4A (0.36) OPRK1POLBCYP2D6HTR4

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
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed