SCHEMBL7440423

SCHEMBL7440423

COc1cc(C(C(N)=O)N2CCC(=O)CC2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 2/20 0.38
STAT6 P42226 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7279547 0.84 PKM (0.46) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL11360120 0.84 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL11850354 0.84 PKM (0.46) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7438870 0.83 CHRM2 (0.44) CACNA2D1CACNA1BCACNB1CHRM2CHRM1
SCHEMBL7439650 0.79 CHRM2 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL7434643 0.76 CES2 (0.38) CHRM2CHRM1ALDH1A1
SCHEMBL7437442 0.74 TSHR (0.45) CACNA2D1CACNA1BCACNB1CACNA1CCHRM2
SCHEMBL28750556 0.72 P4HB (0.52) POLBALDH1A1TP53MAPTHSD17B10
SCHEMBL7434817 0.72 LMNA (0.51) ALDH1A1CYP1A2
SCHEMBL7426489 0.72 CHRM2 (0.38) CHRM2CHRM1ALDH1A1

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