SCHEMBL7438870

SCHEMBL7438870

COc1cc(OC)cc(C(C(N)=O)N2CCC(=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
TNF P01375 2/20 0.40
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7439650 0.87 CHRM2 (0.56) CHRM2CHRM1TNFCACNA2D1CACNA1B
SCHEMBL7440423 0.83 PDE1A (0.40) CHRM2CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL7282340 0.83 ADRB1 (0.46) CHRM2CHRM1TNFCACNA2D1CACNA1B
SCHEMBL7434643 0.78 CES2 (0.38) CHRM2CHRM1ALDH1A1
SCHEMBL7437442 0.76 TSHR (0.45) CHRM2CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL11928234 0.75 CHRM2 (0.61) CHRM2CHRM1KMT2AL3MBTL1LMNA
SCHEMBL7434817 0.74 LMNA (0.51) KMT2ALMNAALDH1A1GAA
SCHEMBL7426489 0.74 CHRM2 (0.38) CHRM2CHRM1KMT2ALMNAALDH1A1
SCHEMBL4616344 0.74 CHRM2 (0.63) CHRM2CHRM1KMT2AL3MBTL1LMNA
SCHEMBL7431600 0.72 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