SCHEMBL31106404

SCHEMBL31106404

CC[C@]1(C(=O)O)CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
CYP2D6 P10635 7/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2C19 P33261 1/20 0.32
FFAR3 O14843 1/20 0.30

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
SCHEMBL4204210 1.00 ARG1 (0.47) ARG1ARG2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17393104 0.98 ARG1 (0.46) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL1359695 0.94 ARG1 (0.53) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL30085352 0.94 ARG1 (0.53) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL1359692 0.94 ARG1 (0.53) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL5928185 0.81 NPSR1 (0.40) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL7094527 0.80 ARG2 (0.60) ARG1ARG2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17393020 0.79 NPSR1 (0.39) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL29842911 0.79 CYP2D6 (0.45) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL11650757 0.78 ARG1 (0.58) ARG1ARG2CYP2D6SLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666735-A Synthesis method of (R) -2-ethylpiperidine-2-formic acid 吉尔多肽生物制药(大连市)有限公司 2024-09-20 CN claimed
CN-118666735-A Synthesis method of (R) -2-ethylpiperidine-2-formic acid 吉尔多肽生物制药(大连市)有限公司 2024-09-20 CN disclosed
CN-118666735-A Synthesis method of (R) -2-ethylpiperidine-2-formic acid 吉尔多肽生物制药(大连市)有限公司 2024-09-20 CN disclosed
CN-118666735-A Synthesis method of (R) -2-ethylpiperidine-2-formic acid 吉尔多肽生物制药(大连市)有限公司 2024-09-20 CN disclosed