SCHEMBL24693012

SCHEMBL24693012

CC[C@@H](C)N(C)CCc1c[nH]c2c(F)c(F)c(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
MPO P05164 2/20 0.36
HTR1A P08908 4/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
GPR84 Q9NQS5 1/20 0.33
AR P10275 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL29206444 1.00 HTR2A (0.40) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL29206362 0.84 HTR2A (0.36) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL29206367 0.82 HTR2A (0.57) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL29206392 0.81 MTNR1A (0.43) HTR2AHTR1AHTR1DHTR1BHTR6
SCHEMBL30877278 0.81 MTNR1A (0.43) HTR2AHTR1AHTR1DHTR1BHTR6
SCHEMBL29206408 0.80 HTR2A (0.38) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL25883633 0.77 HTR2A (0.42) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL24420288 0.77 GPR84 (0.42) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL29206370 0.76 HTR2A (0.57) HTR2AMPOHTR1AHTR1DHTR1B
SCHEMBL24693005 0.75 MPO (0.42) MPOHTR1AHTR1DHTR1BGPR84

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
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed