SCHEMBL25097073

SCHEMBL25097073

CC(=O)N1C2CCCC1CC(I)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM4 P08173 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL20690443 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL21480134 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL12357446 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL17572004 0.72 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL14110948 0.71 SMN1; SMN2 (0.53) SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL25375910 0.71 CHRM2 (0.33) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL23245840 0.71 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL23245486 0.71 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL18403419 0.71 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL15810876 0.71 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4

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
EP-3660023-B1 THIENOPYRIMIDINEDIONE COMPOUNDS AS ACC INHIBITORS AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2023-03-08 EP disclosed