SCHEMBL7302924

SCHEMBL7302924

Cc1ccc(Cl)c(OCC(O)CNCCc2nc3cc(C4=NNC(=O)CC4)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRL1 P41146 2/20 0.35
ADRB1 P08588 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB3 P13945 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
SCHEMBL9687567 0.94 KMT2A (0.39) MEN1KMT2AOPRL1PDE4APDE4B
SCHEMBL9687213 0.84 MAPK1 (0.44) MEN1KMT2AADRB1SMN1; SMN2NPSR1
SCHEMBL7303647 0.82 CTSS (0.45) MEN1KMT2AADRB1ADRB3
SCHEMBL7306568 0.82 ADRB2 (0.39) KMT2AADRB1PDE4APDE4BPDE4C
SCHEMBL7302583 0.79 MAPT (0.42) KMT2AADRB1ADRB3
SCHEMBL7306574 0.77 ADRB2 (0.39) KMT2AADRB1PDE4APDE4BPDE4C
SCHEMBL7303661 0.77 CTSS (0.45) MEN1KMT2AADRB1ADRB3
SCHEMBL9463196 0.75 SLC2A1 (0.41) MEN1KMT2AOPRL1ADRB1PDE4A
SCHEMBL9463189 0.75 SLC2A1 (0.41) MEN1KMT2AOPRL1ADRB1PDE4A
SCHEMBL7302590 0.73 MAPT (0.42) KMT2AADRB1ADRB3

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