SCHEMBL10370451

SCHEMBL10370451

CN1C=COc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
HSD17B3 P37058 1/20 0.33
TSHR P16473 3/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SETD7 Q8WTS6 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL10576926 0.78 MAOA (0.35) MAOAMAOBHSD17B3TSHRSMN1; SMN2
SCHEMBL10372476 0.75 SIGMAR1 (0.32)
SCHEMBL10371070 0.75 RIPK1 (0.35)
SCHEMBL10370618 0.72 LMNA (0.33) TSHRDRD2DRD1DRD3SMN1; SMN2
SCHEMBL6171950 0.72 HSD17B3 (0.36) MAOAMAOBHSD17B3TSHRSMN1; SMN2
SCHEMBL30025878 0.71 MEN1 (0.42) HSD17B3SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6173888 0.70 HSD17B3 (0.35) HSD17B3TSHRSLC6A2SLC6A4MEN1
SCHEMBL10370437 0.69 KDM4E (0.38) TSHRTDP1MAPTKDM4E
SCHEMBL4139022 0.69 MAOA (0.44) MAOAMAOBHSD17B3TSHRSLC6A2
SCHEMBL5530904 0.69 MAOA (0.41) MAOAMAOBHSD17B3TSHRSETD7

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
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 EP claimed