SCHEMBL7313271

SCHEMBL7313271

CCc1ccc(-n2nnnc2COc2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
MAOA P21397 8/20 0.52
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
ABCC4 O15439 1/20 0.49
CACNA1F O60840 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
OPRK1 P41145 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CACNA1D Q01668 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
SCHEMBL7309989 0.78 MAOA (0.64) MAOBMAOAALDH1A1LMNAKMT2A
SCHEMBL7306011 0.74 PDE3B (0.65) MAOBMAOAALDH1A1LMNAKMT2A
SCHEMBL7313055 0.74 MAOB (0.45) MAOBMAOAALDH1A1LMNAKMT2A
SCHEMBL23097598 0.73 DRD2 (0.68) MAOBMAOAKCNH2HTR1ADRD2
SCHEMBL31718409 0.72 MAOB (0.76) MAOBMAOAPKM
SCHEMBL4820998 0.72 MAOB (0.76) MAOBMAOAALDH1A1CYP1A2CYP3A4
SCHEMBL2205572 0.71 MAOA (0.66) MAOBMAOACYP1A2CYP3A4PDE3B
SCHEMBL31718514 0.70 MAOB (0.73) MAOBMAOAKIF11
SCHEMBL31718515 0.70 MAOA (0.53) MAOBMAOAALDH1A1LMNAKMT2A
SCHEMBL7306995 0.70 MAOB (0.64) MAOBMAOAALDH1A1LMNAKMT2A

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed