SCHEMBL30513699

SCHEMBL30513699

CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.57
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GPR4 P46093 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PDE4B Q07343 1/20 0.32
GRM5 P41594 1/20 0.31
GRM1 Q13255 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
SCHEMBL1624736 1.00 PTGER4 (0.57) PTGER4FAAHMEN1KMT2ATP53
SCHEMBL1624348 0.90 PTGER4 (0.49) PTGER4TP53MAPTESR1ESR2
SCHEMBL21741607 0.90 PTGER4 (0.57) PTGER4FAAHMEN1KMT2ATP53
SCHEMBL1624672 0.87 PTGER4 (0.55) PTGER4FAAHMEN1KMT2ATP53
SCHEMBL1626358 0.87 PTGER4 (0.55) PTGER4FAAHMEN1KMT2ATP53
SCHEMBL30224999 0.87 PTGER4 (0.55) PTGER4FAAHMEN1KMT2ATP53
SCHEMBL23876632 0.87 PTGER4 (0.60) PTGER4FAAHMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL1999779 0.86 PTGER4 (0.54) PTGER4FAAHMEN1KMT2AGPR4
SCHEMBL1626154 0.86 PTGER4 (0.46) PTGER4FAAHTP53MAPT
SCHEMBL21741601 0.85 PTGER4 (0.61) PTGER4FAAHTP53MAPTGPR4

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
CN-116496274-A Preparation method of EP4 receptor antagonist 江苏天和制药有限公司 2023-07-28 CN claimed
CN-116496274-A Preparation method of EP4 receptor antagonist 江苏天和制药有限公司 2023-07-28 CN disclosed
CN-116496274-A Preparation method of EP4 receptor antagonist 江苏天和制药有限公司 2023-07-28 CN disclosed