SCHEMBL8615320

SCHEMBL8615320

CCCC1CCN(C2CCC(O)(CC(=O)O)CC2)CC1Nc1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
CCR2 P41597 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
EPHX2 P34913 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8303817 0.80 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300631 0.74 GRIN2B (0.40) KDM4EMEN1ALDH1A1KMT2ACCR2
SCHEMBL8301361 0.73 CYP2D6 (0.39) KDM4EMEN1ALDH1A1KMT2ACCR2
SCHEMBL8300676 0.72 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8299936 0.71 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8301126 0.70 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300200 0.70 KDM4E (0.37) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL7399382 0.69 ITGB3 (0.49) KDM4EMEN1ALDH1A1KMT2AITGB3
SCHEMBL7399380 0.69 ITGB3 (0.49) KDM4EMEN1ALDH1A1KMT2AITGB3
SCHEMBL8301158 0.66 CCR2 (0.35) CCR2HTR2AHRH1HTR2B

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-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed