SCHEMBL9764575

SCHEMBL9764575

CN1CCC(c2c[nH]c3ccc(C=CC(N)=O)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
BLM P54132 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HTR1D P28221 12/20 0.60
HTR1B P28222 12/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
THPO P40225 1/20 0.60
HTR1A P08908 2/20 0.58
HTR1F P30939 2/20 0.58
NOS1 P29475 3/20 0.53
APP P05067 1/20 0.52
NOS3 P29474 2/20 0.50
NOS2 P35228 2/20 0.50

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
SCHEMBL9764568 1.00 MAPT (0.63) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL9048444 0.87 MAPT (0.61) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL9394170 0.87 MAPT (0.61) MAPTBLMNPSR1HTR1DHTR1B
Bromide SCHEMBL9039695 0.86 MAPT (0.60) MAPTBLMNPSR1HTR1DHTR1B
Bromide SCHEMBL8915509 0.86 MAPT (0.60) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL7480780 0.82 HTR1D (0.60) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL7480774 0.82 HTR1D (0.60) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL7013891 0.82 HTR1D (0.66) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL8205314 0.81 HTR1D (0.62) MAPTBLMNPSR1HTR1DHTR1B
SCHEMBL8205310 0.81 HTR1D (0.62) MAPTBLMNPSR1HTR1DHTR1B

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-5066660-A INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-11-19 US disclosed