SCHEMBL8699805

SCHEMBL8699805

c1cn(CCN2CCCCC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
TBXAS1 P24557 5/20 0.52
CYP2B6 P20813 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP19A1 P11511 1/20 0.40

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 SCHEMBL28306929 0.98 ACHE (0.57) ACHETBXAS1CYP2B6EGLN3CYP1A2
SCHEMBL11011577 0.98 ACHE (0.60) ACHETBXAS1CYP2B6EGLN3CYP1A2
SCHEMBL19596990 0.89 ACHE (0.64) ACHETBXAS1CYP2B6FPR3FPR2
SCHEMBL7739959 0.89 ACHE (0.64) ACHETBXAS1CYP2B6FPR3FPR2
SCHEMBL6600770 0.84 ACHE (0.49) ACHETBXAS1CYP2B6EGLN3SIGMAR1
SCHEMBL4758301 0.82 TBXAS1 (0.50) ACHETBXAS1EGLN3CYP1A2CYP3A4
SCHEMBL4744809 0.82 TBXAS1 (0.50) ACHETBXAS1CYP2B6EGLN3CYP19A1
SCHEMBL8510756 0.82 TBXAS1 (0.50) ACHETBXAS1EGLN3CYP3A4
SCHEMBL2961714 0.82 CYP2B6 (0.48) ACHETBXAS1CYP2B6EGLN3CYP1A2
SCHEMBL1308861 0.81 TBXAS1 (0.48) ACHETBXAS1CYP2B6EGLN3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020192280-A1 DOUBLE BASIC-FUNCTIONALIZED IONIC LIQUID WITH SURFACE ACTIVITY AND PREPARATION METHOD THEREFOR 枣庄学院 2020-10-01 WO disclosed
CN-109988115-A A kind of double basic functionalized ionic liquids and preparation method thereof with surface-active 枣庄学院 2019-07-09 CN disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
CN-1285588-C Farnesyl protein transferase inhibitors SCHERING CORP (US) 2006-11-22 CN disclosed
CN-1422269-A 1H-imidazopyridine derivatives HOKURIKU PHARMACEUTICAL (JP) 2003-06-04 CN disclosed
CN-1352642-A Farnesyl protein transferase inhibitors SCHERING CORP (US) 2002-06-05 CN disclosed
CN-1323307-A 1H-imidazopyridine derivatives HOKURIKU SEIYAKU (JP) 2001-11-21 CN disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed