SCHEMBL8465859

SCHEMBL8465859

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 4/20 0.47
ADORA2A P29274 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ADCY1 Q08828 1/20 0.41
PDE3A Q14432 1/20 0.40
PLA2G2A P14555 1/20 0.40
FGFR1 P11362 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TRPM2 O94759 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKACA P17612 1/20 0.39
EP300 Q09472 1/20 0.39

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
SCHEMBL8466600 1.00 ADCY5 (0.47) ADCY5ADORA2AALDH1A1ADCY1PDE3A
SCHEMBL8466911 0.92 ADCY5 (0.37) ADCY5ADORA2AALDH1A1ADCY1PDE3A
SCHEMBL8467714 0.91 ADCY5 (0.36) ADCY5ADORA2AALDH1A1ADCY1PDE3A
SCHEMBL8465925 0.91 ADCY5 (0.36) ADCY5ADORA2AALDH1A1ADCY1PLA2G2A
SCHEMBL8464251 0.91 ADCY5 (0.36) ADCY5ADCY1FGFR1
SCHEMBL8467662 0.91 ADCY5 (0.36) ADCY5ADORA2AALDH1A1ADCY1PLA2G2A
SCHEMBL8466905 0.91 ADCY5 (0.36) ADCY5ADCY1FGFR1
SCHEMBL8464285 0.90 P2RY1 (0.43) ADCY5PDE3A
SCHEMBL8467074 0.90 P2RY1 (0.43) ADCY5PDE3A
SCHEMBL8467135 0.90 TAAR1 (0.42) ADCY5EP300

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