SCHEMBL21566478

SCHEMBL21566478

CCN(C)[C@H](C(C)=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL3440571 0.81 ADAMTS4 (0.35) CHRM1CHRM3
SCHEMBL3440572 0.81 ADAMTS4 (0.35) CHRM1CHRM3
SCHEMBL14625507 0.79 CHRNB2 (0.31)
SCHEMBL19292871 0.79 CHRNB2 (0.31)
SCHEMBL13747377 0.78 FDPS (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8919611 0.78 FDPS (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27259972 0.77 ALDH1A1 (0.31) CHRM2
SCHEMBL25662334 0.77
SCHEMBL21229682 0.77
SCHEMBL7766013 0.75

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-2019217457-A1 METHODS OF TREATING CANCER WITH A COMBINATION OF AN ANTI-PD-1 ANTIBODY AND AN ANTI-TISSUE FACTOR ANTIBODY-DRUG CONJUGATE GENMAB A/S (DK) 2019-11-14 WO disclosed