SCHEMBL11070765

SCHEMBL11070765

CCc1cccc(C2CCN(CCCOc3ccc4c(c3)CCC(=O)N4)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.56
MAOB P27338 10/20 0.56
DRD2 P14416 5/20 0.56
DRD3 P35462 2/20 0.56
HTR1A P08908 1/20 0.56
DRD4 P21917 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR7 P34969 1/20 0.56
KDM1A O60341 1/20 0.55
ALDH1A2 O94788 2/20 0.52

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
SCHEMBL11062872 0.88 KDM1A (0.66) MAOAMAOBDRD2DRD3HTR1A
SCHEMBL11060298 0.82 SLC2A1 (0.65) MAOAMAOBDRD2DRD3HTR1A
SCHEMBL11064535 0.81 MAOA (0.64) MAOAMAOBDRD2DRD3DRD4
SCHEMBL11067221 0.81 MAOB (0.79) MAOAMAOBDRD2DRD3HTR1A
SCHEMBL11066640 0.80 MAOA (0.71) MAOAMAOBDRD2
SCHEMBL11066861 0.80 DRD2 (0.69) MAOAMAOBDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL11068783 0.79 MAOA (0.70) MAOAMAOBDRD2
SCHEMBL23097598 0.79 DRD2 (0.68) MAOAMAOBDRD2DRD3HTR1A
SCHEMBL10571545 0.79 MAOA (0.86) MAOAMAOBDRD2DRD3HTR1A
SCHEMBL23097665 0.79 DRD2 (0.63) MAOAMAOBDRD2DRD3HTR1A

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed