SCHEMBL30877882

SCHEMBL30877882

O=CNCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 14/20 0.68
SLC6A4 P31645 3/20 0.67
NOTUM Q6P988 2/20 0.64
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
HTR2A P28223 1/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
HTR1A P08908 1/20 0.58
KMT2A Q03164 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
SPR P35270 1/20 0.57

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
SCHEMBL27210131 1.00 MPO (0.68) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4487619 0.84 MPO (0.65) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL14614196 0.83 HTR2C (0.68) SLC6A4NOTUMHTR2AHTR1AKMT2A
SCHEMBL31292987 0.83 MTNR1A (0.64) SLC6A4MTNR1AMTNR1BHTR2ATRPM8
SCHEMBL2405001 0.81 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4492524 0.81 MPO (0.67) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL2404396 0.81 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL24693261 0.81 MPO (0.69) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL8806539 0.81 MPO (0.50) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2403826 0.80 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B

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
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN disclosed