SCHEMBL7835522

SCHEMBL7835522

O=C(NC(CO)CCc1cccc(O)c1)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.38
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SPR P35270 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CNR1 P21554 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
ADRB2 P07550 1/20 0.33
DAO P14920 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 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
SCHEMBL7453024 0.88 MMP13 (0.40) PDE5ACNR1DAOEGFR
SCHEMBL7453033 0.87 CTSG (0.44) CNR1CTSGCTRB1ROCK2ROCK1
SCHEMBL7840730 0.86 CTSG (0.36) PDE5ACNR1CTSGCTRB1ROCK2
SCHEMBL7840061 0.85 TAS1R3 (0.42) HDAC6CNR1EGFR
SCHEMBL7452027 0.84 PDE5A (0.41) PDE5ACNR1CTSGCTRB1ROCK2
SCHEMBL7457472 0.82 CYP4F2 (0.48) PDE5A
SCHEMBL7827408 0.81 CNR1 (0.47) CNR1
SCHEMBL7838799 0.71 MTNR1A (0.41) HDAC6ROCK2ROCK1MME
SCHEMBL7837953 0.70 SMN1; SMN2 (0.45) CNR1
SCHEMBL7451211 0.70 SMN1; SMN2 (0.45) CNR1

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-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed