SCHEMBL7230855

SCHEMBL7230855

COc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1C(=O)NN

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.63
MAOA P21397 3/20 0.63
HTR4 Q13639 1/20 0.56
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MET P08581 2/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
FAAH O00519 1/20 0.50
ACHE P22303 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL2652409 0.81 MAOB (0.57) MAOBMAOAALDH1A1KDM4EKMT2A
SCHEMBL6107363 0.76 MCHR1 (0.68) HTR4MCHR1ALDH1A1LMNAPOLB
SCHEMBL7230848 0.76 MAOB (0.51) MAOBMAOAALDH1A1KDM4EGAA
SCHEMBL7237603 0.76 MET (0.44) MAOBMAOAMCHR1MET
SCHEMBL4750836 0.75 GAA (0.74) ALDH1A1KDM4EGAAKMT2ALMNA
SCHEMBL6109544 0.73 MCHR1 (0.73) MCHR1LMNAFAAHACHE
SCHEMBL9815637 0.72 LMNA (0.57) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL6110834 0.72 MCHR1 (0.74) MCHR1LMNA
SCHEMBL12259234 0.72 ALDH1A1 (0.82) MAOBMAOAALDH1A1KDM4EKMT2A
SCHEMBL4939202 0.72 TP53 (0.66) ALDH1A1KDM4EGAAKMT2AHTT

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed