SCHEMBL8300408

SCHEMBL8300408

COC(C(=O)O)C1CCC(N2CCN(CCCNc3ccncc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
HTR7 P34969 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8617208 0.94 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300507 0.80 KDM4E (0.43) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8304879 0.77 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8613339 0.77 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8613950 0.76 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8299936 0.75 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300207 0.74 CCR2 (0.34)
SCHEMBL8300030 0.73 KDM4E (0.45) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8617213 0.73 ROCK2 (0.33) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8301126 0.73 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 EP disclosed
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed