SCHEMBL8301126

SCHEMBL8301126

O=C(O)CC1(O)CCC(N2CCN(CCCCNc3ccncc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV6 Q9H1D0 2/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
CYP2C9 P11712 1/20 0.34
GRIN2B Q13224 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL8299936 0.97 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300676 0.93 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8301361 0.85 CYP2D6 (0.39) KDM4EMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL8304879 0.82 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300631 0.82 GRIN2B (0.40) KDM4EMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL8306140 0.80 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8303817 0.80 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8300507 0.79 KDM4E (0.43) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL8303583 0.79 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ATRPV6
SCHEMBL7399380 0.76 ITGB3 (0.49) KDM4EMEN1ALDH1A1KMT2A

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
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