SCHEMBL9687567

SCHEMBL9687567

Cc1ccc(Cl)c(OCC(O)CNCCc2nc3ccc(C4=NNC(=O)CC4)cc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRL1 P41146 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
POLB P06746 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
SCHEMBL7302924 0.94 MEN1 (0.39) KMT2AMEN1OPRL1PDE4APDE4B
SCHEMBL7306574 0.82 ADRB2 (0.39) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7303661 0.82 CTSS (0.45) KMT2AMEN1ADRB3
SCHEMBL7302590 0.79 MAPT (0.42) KMT2AADRB3
SCHEMBL9687213 0.78 MAPK1 (0.44) KMT2AMEN1SMN1; SMN2NPSR1ADRB3
SCHEMBL7306568 0.77 ADRB2 (0.39) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7303647 0.77 CTSS (0.45) KMT2AMEN1ADRB3
SCHEMBL9463196 0.75 SLC2A1 (0.41) KMT2AMEN1OPRL1PDE4APDE4B
SCHEMBL9463189 0.75 SLC2A1 (0.41) KMT2AMEN1OPRL1PDE4APDE4B
SCHEMBL7302583 0.73 MAPT (0.42) KMT2AADRB3

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
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