SCHEMBL28388288

SCHEMBL28388288

C[C@H]1CN(Cc2ccc(Cl)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
ENPP2 Q13822 1/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.44
GPR119 Q8TDV5 4/20 0.44
MAP4K4 O95819 1/20 0.42
MDM2 Q00987 2/20 0.41
HDAC1 Q13547 1/20 0.41
SETD7 Q8WTS6 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL30529023 1.00 CCR1 (0.45) CCR1ENPP2PTGDR2GPR119MAP4K4
SCHEMBL28388289 1.00 CCR1 (0.45) CCR1ENPP2PTGDR2GPR119MAP4K4
SCHEMBL377605 0.85 GPR119 (0.43) CCR1ENPP2PTGDR2GPR119MAP4K4
SCHEMBL6912757 0.85 GPR119 (0.47) GPR119MAP4K4HDAC1
SCHEMBL20788244 0.84 CCR1 (0.47) CCR1ENPP2PTGDR2MGLL
SCHEMBL20788251 0.84 CCR1 (0.47) CCR1ENPP2PTGDR2MGLL
SCHEMBL20788464 0.82 VEGFA (0.53) GPR119MGLL
SCHEMBL3664004 0.78 MGLL (0.49) CCR1PTGDR2GPR119MGLL
SCHEMBL7968974 0.78 MGLL (0.49) CCR1PTGDR2GPR119MGLL
SCHEMBL3664002 0.78 MGLL (0.49) CCR1PTGDR2GPR119MGLL

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
CN-111094278-B Diphenyl derivative and use thereof 诺华股份有限公司 2023-07-14 CN disclosed
CN-111094278-A Diphenyl derivatives and their use 诺华股份有限公司 2020-05-01 CN disclosed