SCHEMBL1730307

SCHEMBL1730307

COc1cc2nc(C(NC(=O)O)C3CCNCC3)nc(N)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
APAF1 O14727 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
UBE2N P61088 1/20 0.46
ADRA1D P25100 5/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
EHMT2 Q96KQ7 1/20 0.41

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
SCHEMBL8706255 0.72 ADRA1D (0.46) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL12775191 0.70 POLB (0.56) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL1729633 0.68 SMYD3 (0.42)
SCHEMBL6774386 0.65 KDM4E (0.46) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL1728966 0.65 MAOA (0.46) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL1728792 0.65 AKT1 (0.42) ALDH1A1HPGD
SCHEMBL20267079 0.65 ADRA1B (0.58) ADRA1DADRA1AADRA1B
SCHEMBL1729018 0.64 SMYD3 (0.43)
SCHEMBL1727781 0.64 SMYD3 (0.43)
SCHEMBL11398578 0.64 KDM4E (0.65) KDM4EAPAF1ALDH1A1POLBMAPT

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed