SCHEMBL8305735

SCHEMBL8305735

CCCCOC(=O)C1Cc2c(NC3NCCN3)ccc(C)c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Acetic Acid SCHEMBL8306059 0.81 L3MBTL1 (0.32) MAPK1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL8301307 0.79 HSD17B10 (0.39) CYP1A2CYP2C9CYP2C19HSD17B10MAPK1
SCHEMBL8305736 0.78 HPGD (0.34) CYP1A2CYP2C9CYP2C19HSD17B10MAPK1
SCHEMBL8304121 0.76 ALDH1A1 (0.41) HSD17B10MAPK1KDM4ESMN1; SMN2LMNA
SCHEMBL8438884 0.73 SMN1; SMN2 (0.34) CYP1A2CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL8434188 0.72 L3MBTL1 (0.38) MAPK1KDM4EHPGDLMNAALDH1A1
SCHEMBL8326659 0.67 KDM4E (0.45) CYP1A2CYP2C9CYP2C19HSD17B10KDM4E
SCHEMBL11037027 0.66 ALDH1A1 (0.42) CYP1A2CYP2C19MAPK1CYP2D6SMN1; SMN2
SCHEMBL9033856 0.65 RAB9A (0.38) CYP1A2CYP2C9CYP2C19MAPK1KDM4E
SCHEMBL30404697 0.64 ALDH1A1 (0.40) NPC1HPGDRAB9ALMNAALDH1A1

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
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed