SCHEMBL25366111

SCHEMBL25366111

Cc1ccccc1[C@@H]1C[C@@H](CO)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
HSD11B1 P28845 1/20 0.37
DRD4 P21917 1/20 0.36
MAOB P27338 1/20 0.36
AR P10275 2/20 0.35
MCHR1 Q99705 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
FFAR1 O14842 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PROKR1 Q8TCW9 2/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25363491 1.00 HTR2C (0.41) HTR2CHSD11B1DRD4MAOBAR
SCHEMBL29035231 0.83 SRC (0.46)
SCHEMBL26565813 0.83 SRC (0.46)
SCHEMBL29523654 0.83 SRC (0.46)
SCHEMBL29523557 0.83 SRC (0.46)
SCHEMBL29035368 0.83 SRC (0.46)
SCHEMBL29035233 0.83 SRC (0.46)
SCHEMBL25362718 0.80 AKR1C3 (0.41) GAA
SCHEMBL25362834 0.80 AKR1C3 (0.41) GAA
SCHEMBL5576810 0.80 AKR1C3 (0.41) GAA

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
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed