SCHEMBL7994264

SCHEMBL7994264

N#Cc1ccc2[nH]c(=O)n(C3CCNCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.57
OPRM1 P35372 1/20 0.52
TNKS O95271 7/20 0.48
HSD11B1 P28845 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL31285840 1.00 PGR (0.57) PGROPRM1TNKSHSD11B1TNKS2
Hydrochloric Acid SCHEMBL16876811 0.99 PGR (0.56) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL20338373 0.93 PGR (0.60) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL2636697 0.92 PGR (0.52) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL2636696 0.92 PGR (0.52) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL4444315 0.89 TNKS (0.59) PGROPRM1TNKSHSD11B1TNKS2
Hydrochloric Acid SCHEMBL16876826 0.88 TNKS (0.58) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL18203563 0.82 PGR (0.50) PGROPRM1JAK2JAK3
SCHEMBL8242664 0.82 TNKS (0.64) PGROPRM1TNKSHSD11B1TNKS2
SCHEMBL2636830 0.82 TNKS (0.54) PGROPRM1TNKSHSD11B1TNKS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed