SCHEMBL29699040

SCHEMBL29699040

CC1(C)COCCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15637406 0.88 GRM5 (0.38) GRM5MEN1TP53KMT2AGAA
Hydrochloric Acid SCHEMBL4247953 0.86 GRM5 (0.37) GRM5MEN1TP53KMT2AGAA
SCHEMBL1355575 0.73 TSHR (0.41)
SCHEMBL18478526 0.72 SMN1; SMN2 (0.43) GRM5MEN1TP53KMT2AGAA
SCHEMBL15319783 0.71 TSHR (0.39) MEN1KMT2A
SCHEMBL25259083 0.71 GRM5 (0.40) GRM5MEN1TP53KMT2AGAA
SCHEMBL22121093 0.69 MCHR1 (0.31)
SCHEMBL15134191 0.69 GRM5 (0.36) GRM5GAA
SCHEMBL20469390 0.68 GRM5 (0.36) GRM5MEN1TP53KMT2AGAA
SCHEMBL16889162 0.68 GRM5 (0.37) GRM5GAA

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-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed