SCHEMBL29139826

SCHEMBL29139826

CC1(C)CC(O)[C@H](N)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL15717177 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL29139839 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL30659759 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL15717022 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL5447481 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL30659732 1.00 NTRK1 (0.39) NTRK1HTR2AHTR2CGAASMN1; SMN2
Tartaric Acid SCHEMBL30659754 0.86 NTRK1 (0.40) NTRK1GAASMN1; SMN2NOTUM
Cadaverine Tartrate SCHEMBL30659719 0.86 NTRK1 (0.40) NTRK1GAASMN1; SMN2NOTUM
SCHEMBL18293095 0.80 NTRK1 (0.40) NTRK1HTR2AHTR2CGAASMN1; SMN2
SCHEMBL21553484 0.80 HTR2A (0.38) HTR2AHTR2CGAASMN1; SMN2

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-110831926-B Tetrahydronaphtyl urea derivatives 持田制药株式会社 2023-11-21 CN disclosed