SCHEMBL5299053

SCHEMBL5299053

CCCCN1C=CN(Cc2ccccc2)C1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 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 SCHEMBL28030074 0.98 ABL1 (0.39) ABL1RIN1SIGMAR1PDE2AALDH1A1
SCHEMBL5299319 0.95 KCNH2 (0.41) ABL1RIN1PDE2AALDH1A1
SCHEMBL5816702 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5301049 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5291490 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5283291 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5288423 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5304095 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5291799 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2
SCHEMBL5307658 0.94 KCNH2 (0.43) ABL1RIN1PDE2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed