SCHEMBL7304454

SCHEMBL7304454

CC(=O)NCCNc1ccc(-c2ccc(=O)[nH]n2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE3B Q13370 4/20 0.40
▸ PDE3A Q14432 4/20 0.40
▸ ILK Q13418 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BLM P54132 1/20 0.37

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
SCHEMBL9686206 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7294591 0.73 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12595810 0.72 LMNA (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11753796 0.71 PDE3B (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL906413 0.71 CA12 (0.46) MAPTHPGDCA12CA4CA7
SCHEMBL3346610 0.70 LMNA (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7298653 0.70 MTNR1A (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31703399 0.69 LMNA (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12595757 0.68 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12595735 0.68 LMNA (0.53) PDE4APDE4BPDE4CPDE4DLMNA

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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 — — US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 — — EP disclosed
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