SCHEMBL9517037

SCHEMBL9517037

CCCCC(N)(CCCC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 1/20 0.42
CSNK1E P49674 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TNNC1 P63316 5/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
DNM1 Q05193 1/20 0.38

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
Hydrochloric Acid SCHEMBL2059947 0.98 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ACSNK1E
Methylamine SCHEMBL27796046 0.94 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ACSNK1E
SCHEMBL6056161 0.92 SLC6A2 (0.48) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53
SCHEMBL29107063 0.92 SLC6A2 (0.48) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53
SCHEMBL19253988 0.92 SLC6A2 (0.48) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53
Hydrochloric Acid SCHEMBL11273751 0.91 SLC6A2 (0.47) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53
Hydrochloric Acid SCHEMBL16427991 0.91 SLC6A2 (0.47) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53
SCHEMBL27893438 0.90 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ACSNK1E
SCHEMBL2212796 0.89 TNNC1 (0.49) SLC6A2TAAR1SMN1; SMN2HIF1ACSNK1E
SCHEMBL11094959 0.89 SLC6A2 (0.48) SLC6A2TAAR1SMN1; SMN2CSNK1ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924916-A Method for synthesizing tertiary amine and secondary amine by high-selectivity aldehyde reductive amination under catalyst-free condition 西南石油大学 2023-10-24 CN disclosed
EP-3426222-A1 PREFORMED DENTAL COMPOSITE CROWN, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2019-01-16 EP disclosed
WO-2017155692-A1 PREFORMED DENTAL COMPOSITE CROWN, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-14 WO disclosed
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP disclosed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP disclosed