SCHEMBL8467714

SCHEMBL8467714

N=C(N)NCCC[C@@H](NC(=O)OCCCCCn1cnc2c(S)ncnc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 4/20 0.36
ITGB3 P05106 2/20 0.32
ITGA2B P08514 1/20 0.32
ADCY1 Q08828 1/20 0.32
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
ADORA2A P29274 1/20 0.31
TRPM2 O94759 1/20 0.31
ITGAV P06756 1/20 0.31
MARS1 P56192 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY1 P47900 1/20 0.31
PRKACA P17612 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
SCHEMBL8465859 0.91 ADCY5 (0.47) ADCY5ADCY1PLA2G2AALDH1A1ADORA2A
SCHEMBL8466911 0.91 ADCY5 (0.37) ADCY5ITGB3ITGA2BADCY1PLA2G2A
SCHEMBL8466600 0.91 ADCY5 (0.47) ADCY5ADCY1PLA2G2AALDH1A1ADORA2A
SCHEMBL8467662 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1PLA2G2A
SCHEMBL8465925 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1PLA2G2A
SCHEMBL8466905 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8464251 0.90 ADCY5 (0.36) ADCY5ITGB3ITGA2BADCY1
SCHEMBL8464285 0.89 P2RY1 (0.43) ADCY5HDAC1HDAC2MARS1PDE3A
SCHEMBL8467074 0.89 P2RY1 (0.43) ADCY5HDAC1HDAC2MARS1PDE3A
SCHEMBL8467135 0.89 TAAR1 (0.42) ADCY5ITGB3ITGA2BMARS1P2RY1

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-5994361-A ANTITUMOR, ANTICANCER AGENT BIOCHEM PHARMA (CA) 1999-11-30 US claimed