SCHEMBL8790791

SCHEMBL8790791

C1CN2CC(c3nc(C4CC4)no3)(C1)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.33
NR1I2 O75469 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
USP7 Q93009 1/20 0.33
HSD11B1 P28845 1/20 0.32
CHRM2 P08172 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
Oxalic Acid SCHEMBL8791007 0.92 NR1H4 (0.36) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL8790855 0.76 HSD11B1 (0.46) HSD11B1CHRM2
SCHEMBL8790214 0.76 CHRM2 (0.33) CHRM2
SCHEMBL8790767 0.73 HSD11B1 (0.34) HSD11B1
SCHEMBL22352913 0.71 NR1H4 (0.41) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL8790669 0.71 CHRM2 (0.36) HSD11B1CHRM2
SCHEMBL9049643 0.70 HSD11B1 (0.46) HSD11B1CHRM2
SCHEMBL8790019 0.70
SCHEMBL8791005 0.70 CHRM2 (0.38) HSD11B1CHRM2
SCHEMBL22347352 0.69 NR1H4 (0.43) NR1H4NR1I2CYP2C9CYP2C19

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-0413545-B1 Azabicyclic compounds BEECHAM GROUP PLC (GB) 1997-05-14 EP claimed
EP-0413545-A2 Azabicyclic compounds Beecham Group p.l.c. (GB) 1991-02-20 EP claimed