SCHEMBL8301307

SCHEMBL8301307

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8304121 0.82 ALDH1A1 (0.41) HSD17B10ALDH1A1LMNACYP3A4KDM4E
SCHEMBL8305735 0.79 CYP1A2 (0.34) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6583379 0.79 ALDH1A1 (0.32) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8434188 0.78 L3MBTL1 (0.38) ALDH1A1LMNATSHRKDM4EMAPK1
SCHEMBL8305736 0.76 HPGD (0.34) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11037027 0.72 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19LMNATSHR
SCHEMBL8326659 0.69 KDM4E (0.45) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27492109 0.69 GAA (0.54) HSD17B10ALDH1A1LMNACYP3A4TSHR
SCHEMBL8300493 0.68 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL8300757 0.68 LMNA (0.32) HSD17B10ALDH1A1LMNATSHRKDM4E

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