SCHEMBL7439650

SCHEMBL7439650

COc1ccc(C(C(N)=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TNF P01375 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL11928234 0.88 CHRM2 (0.61) CHRM2CHRM1LMNAL3MBTL1KMT2A
SCHEMBL7438870 0.87 CHRM2 (0.44) CHRM2CHRM1LMNAL3MBTL1KMT2A
SCHEMBL4616344 0.87 CHRM2 (0.63) CHRM2CHRM1LMNAL3MBTL1KMT2A
SCHEMBL7288846 0.84 CHRM2 (0.55) CHRM2CHRM1LMNAL3MBTL1ALDH1A1
SCHEMBL15797451 0.84 LMNA (0.63) CHRM2CHRM1LMNAL3MBTL1KMT2A
SCHEMBL7437442 0.83 TSHR (0.45) CHRM2CHRM1LMNAHSD11B1ALOX5
SCHEMBL7434817 0.81 LMNA (0.51) LMNAKMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL7426489 0.81 CHRM2 (0.38) CHRM2CHRM1LMNAKMT2AALDH1A1
SCHEMBL5428037 0.80 CHRM2 (0.54) CHRM2CHRM1LMNAL3MBTL1CYP2D6
SCHEMBL7431600 0.79 CHRM2 (0.37) CHRM2CHRM1KMT2AATMALDH1A1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed