SCHEMBL9529587

SCHEMBL9529587

Cc1ccc2c(CCN3CCN(C(=O)c4ccccc4)C(CC(=O)O)C3=O)c[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE6C P51160 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE10A Q9Y233 1/20 0.40
DNMT1 P26358 2/20 0.40
ACHE P22303 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
HTR2A P28223 2/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL10491405 0.91 KMT2A (0.46) PDE4DPDE4APDE6CPDE4BPDE4C
Acetic Acid SCHEMBL10491411 0.90 HPGD (0.40) PDE4DPDE4APDE6CPDE4BPDE4C
SCHEMBL9530049 0.89 KMT2A (0.45) ACHECDK4CCND1HTR2AHPGD
SCHEMBL9529052 0.84 LMNA (0.44) HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL9529850 0.84 NPC1 (0.49) ACHEHTR2AHTR1ARAB9ASMN1; SMN2
SCHEMBL10491367 0.82 KMT2A (0.42) ACHECDK4CCND1HTR2AHTR1A
SCHEMBL10491383 0.82 SMN1; SMN2 (0.48) DNMT1ADRA2AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL10491387 0.80 HPGD (0.49) DNMT1ADRA2AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL10491372 0.80 MTNR1A (0.45) ACHECDK4CCND1HTR2AHPGD
SCHEMBL9531891 0.78 HTR2A (0.43) PDE4DPDE4APDE6CPDE4BPDE4C

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-0287468-B1 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0287468-A2 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1988-10-19 EP disclosed