SCHEMBL5811682

SCHEMBL5811682

Cc1[nH]c2c(OCc3ccccc3)nccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRMT5 O14744 2/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
FFAR2 O15552 1/20 0.40
AHR P35869 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL5810105 0.87 LMNA (0.51) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5809748 0.86 CNR1 (0.40) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5808896 0.86 HTR6 (0.50) MAOACYP3A4CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5811001 0.85 CNR1 (0.39) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5808715 0.84 CYP1A2 (0.40) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5807558 0.84 MAOA (0.55) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5807542 0.84 HTR6 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL5809894 0.84 HTR6 (0.54) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5810951 0.83 CYP1A2 (0.48) MAOACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5811668 0.82 CYP1A2 (0.41) MAOACYP3A4CYP1A2CYP2C9CYP2C19

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