SCHEMBL25839616

SCHEMBL25839616

CC1CC(Cc2ccncc2)CN1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.45
HRH3 Q9Y5N1 2/20 0.42
CYP11B2 P19099 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
SCHEMBL24112880 0.83 LMNA (0.45)
SCHEMBL25839614 0.83 LMNA (0.45)
SCHEMBL25839613 0.83 LMNA (0.45)
SCHEMBL25839729 0.81 HRH3 (0.47) HRH3
SCHEMBL25839727 0.73 HRH3 (0.46) HRH3
SCHEMBL17888494 0.72 CHRM2 (0.48) CYP19A1HRH3CYP11B2
SCHEMBL8302436 0.70 CYP19A1 (0.53) CYP19A1HRH3CYP11B2
SCHEMBL25839735 0.70 GAA (0.38) HRH3
SCHEMBL23206055 0.70 HRH3 (0.49) CYP19A1HRH3
SCHEMBL1000330 0.69 CYP19A1 (0.61) CYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed