SCHEMBL25839729

SCHEMBL25839729

CC1CC(Cc2cccnc2)CN1C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45

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
SCHEMBL24112874 0.83 HRH3 (0.46) HRH3CHRNB2CHRNA7CHRNA4CHRM2
SCHEMBL25785937 0.82 CHRM2 (0.44) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL25758904 0.82 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL25839616 0.81 CYP19A1 (0.45) HRH3
SCHEMBL25839613 0.81 LMNA (0.45)
SCHEMBL25839614 0.81 LMNA (0.45)
SCHEMBL24112880 0.81 LMNA (0.45)
SCHEMBL2743291 0.76 CHRM2 (0.68) HRH3CHRNB2CHRNA7CHRNA4CHRM2
SCHEMBL9298549 0.75 ALDH1A1 (0.48) CHRNB2CHRNA7CHRNA4
SCHEMBL4402327 0.74 CHRM2 (0.62) HRH3CHRNB2CHRNA7CHRNA4CHRM2

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