SCHEMBL29002103

SCHEMBL29002103

COc1cc(C(C)C(=O)O)c(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 3/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.38
FLT4 P35916 1/20 0.38
ASPH Q12797 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
NNMT P40261 1/20 0.37
MAPK10 P53779 2/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL24854145 0.81 MC4R (0.41) AKR1C3AKR1C2NNMT
SCHEMBL30318715 0.81 MC4R (0.41) AKR1C3AKR1C2NNMT
SCHEMBL30340511 0.81 MC4R (0.41) AKR1C3AKR1C2NNMT
SCHEMBL24094514 0.81 MC4R (0.41) AKR1C3AKR1C2NNMT
SCHEMBL24094499 0.81 NNMT (0.40) MEN1KMT2AAKR1C3AKR1C2NNMT
SCHEMBL24094529 0.81 MC4R (0.41) AKR1C3AKR1C2NNMT
SCHEMBL29002109 0.79 NNMT (0.47) MEN1KMT2AAKR1C3AKR1C2POLB
SCHEMBL24853336 0.78 NNMT (0.40) MEN1KMT2AAKR1C3AKR1C2NNMT
SCHEMBL24094566 0.78 NNMT (0.40) MEN1KMT2AAKR1C3AKR1C2NNMT
SCHEMBL24853335 0.78 NNMT (0.40) MEN1KMT2AAKR1C3AKR1C2NNMT

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-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN disclosed
CN-116113635-A Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2023-05-12 CN disclosed
EP-4161927-A1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2023-04-12 EP disclosed