SCHEMBL18024037

SCHEMBL18024037

CN(CCO)CCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 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
SCHEMBL11717752 0.98 SIGMAR1 (0.48) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL24098291 0.94 SIGMAR1 (0.44) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL18024013 0.92 SIGMAR1 (0.47) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL11730463 0.90 SIGMAR1 (0.48) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL20333472 0.90 HRH3 (0.56) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL791900 0.88 SIGMAR1 (0.50) SIGMAR1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL18024081 0.86 PAOX (0.43) SIGMAR1TSHR
SCHEMBL24722766 0.86 HRH3 (0.48) SIGMAR1HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL17517722 0.86 SIGMAR1 (0.51) SIGMAR1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL17526223 0.86 SIGMAR1 (0.55) SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115243789-A Catalyst composition for polyurethane 迈图高新材料公司 2022-10-25 CN claimed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed
US-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US disclosed
CN-115243789-A Catalyst composition for polyurethane 迈图高新材料公司 2022-10-25 CN disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed