SCHEMBL23630278

SCHEMBL23630278

CCCCCCCCCCCNCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.69
HTR1D P28221 3/20 0.65
HTR1A P08908 1/20 0.65
HTR1B P28222 1/20 0.65
MPO P05164 3/20 0.65
KDM4E B2RXH2 3/20 0.65
CYP2D6 P10635 2/20 0.65
HTR2C P28335 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
SPR P35270 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
IDO1 P14902 1/20 0.60
HPGD P15428 1/20 0.60
BLM P54132 1/20 0.60
NOTUM Q6P988 1/20 0.60

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
SCHEMBL27514454 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL25076891 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL14907374 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL23633206 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL25076703 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL23633204 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL23630275 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL25076884 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL25076883 1.00 TRPV1 (0.69) TRPV1HTR1DHTR1AHTR1BMPO
SCHEMBL453066 0.99 TRPV1 (0.67) TRPV1HTR1DHTR1AHTR1BMPO

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
WO-2021141439-A1 COMPOSITION FOR PREVENTING OR TREATING MUSCULAR DISEASE CONTAINING COFFEE SILVER SKIN EXTRACT, FRACTION THEREOF, OR COMPOUND ISOLATED THEREFROM 강릉원주대학교산학협력단 2021-07-15 WO claimed
WO-2021141439-A1 COMPOSITION FOR PREVENTING OR TREATING MUSCULAR DISEASE CONTAINING COFFEE SILVER SKIN EXTRACT, FRACTION THEREOF, OR COMPOUND ISOLATED THEREFROM 강릉원주대학교산학협력단 2021-07-15 WO disclosed