SCHEMBL5797313

SCHEMBL5797313

O=[N+]([O-])c1cccnc1N1CCC(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
ALDH1A1 P00352 6/20 0.67
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
GRM5 P41594 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.53
GAA P10253 2/20 0.53
HSD11B1 P28845 1/20 0.51

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
SCHEMBL14376528 0.91 CYP1A2 (0.64) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5811191 0.85 CYP1A2 (0.64) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL781659 0.83 CYP1A2 (0.87) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14377392 0.82 CYP1A2 (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29445475 0.82 CYP1A2 (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3436165 0.82 ALDH1A1 (0.74) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8259130 0.82 CYP1A2 (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12124658 0.82 CYP1A2 (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3642398 0.82 ALDH1A1 (0.78) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3280808 0.81 CYP1A2 (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed