SCHEMBL8346145

SCHEMBL8346145

c1ccc2c(c1)CCC2CCC1CN(c2cccc3ccccc23)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
MTOR P42345 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL8344544 0.87 MTNR1B (0.43) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL8343951 0.80 MTNR1B (0.43) HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8350530 0.77 HTR1A (0.43) HTR1AHTR3EHTR3BCYP1A2CYP2D6
SCHEMBL6622147 0.77 HTR1A (0.50) HTR1AHTR7
SCHEMBL4241274 0.75 HTR6 (0.55) HTR1AHTR3EHTR3BCYP1A2CYP2D6
SCHEMBL4241279 0.75 HTR6 (0.55) HTR1AHTR3EHTR3BCYP1A2CYP2D6
SCHEMBL6573778 0.72 HTR1A (0.51) HTR1AHTR3EHTR3BCYP1A2CYP2D6
SCHEMBL11626688 0.70 POLB (0.46) CYP1A2CYP2D6HTR6SIGMAR1
SCHEMBL4244446 0.70 HTR6 (0.61) HTR1AHTR3EHTR3BCYP1A2CYP2D6
SCHEMBL4244450 0.70 HTR6 (0.61) HTR1AHTR3EHTR3BCYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929078-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed
US-5929078-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed