SCHEMBL6844233

SCHEMBL6844233

O=C1CCCN1CCc1nc2c(ccc3[nH]cc(C4CCNCC4)c32)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 10/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLAT P00750 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR2A P28223 2/20 0.33
HTR7 P34969 1/20 0.33
HTR1D P28221 6/20 0.32
HTR1B P28222 5/20 0.32
HTR1A P08908 4/20 0.32
HTR2C P28335 3/20 0.31
ADRB2 P07550 1/20 0.31
APP P05067 2/20 0.31
LMNA P02545 1/20 0.31
HTR1E P28566 1/20 0.31
HTR6 P50406 1/20 0.31
HTR4 Q13639 1/20 0.31
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL3551420 0.99 HTR1F (0.36) HTR1FRAB9ASMN1; SMN2PLATCCNT1
SCHEMBL3554804 0.94 HTR1F (0.33) HTR1FRAB9ASMN1; SMN2PLATCCNT1
Hydrochloric Acid SCHEMBL3627024 0.90 HTR1F (0.41) HTR1FHTR2AHTR1DHTR1BHTR1A
SCHEMBL3548795 0.84 RAB9A (0.37) RAB9ASMN1; SMN2HTR2AHTR7LMNA
Hydrochloric Acid SCHEMBL3546167 0.83 RAB9A (0.37) RAB9ASMN1; SMN2LMNA
SCHEMBL3552206 0.81 CYP2D6 (0.42) HTR1FPLATHTR1DHTR1BHTR1A
SCHEMBL3547115 0.81 HTR1F (0.40) HTR1FHTR2AHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL3545956 0.81 HTR1F (0.39) HTR1FHTR2AHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL3553017 0.81 CYP2D6 (0.41) HTR1FPLATHTR1DHTR1BHTR1A
SCHEMBL3551101 0.78 HTR1F (0.36) HTR1FHTR1DHTR1BHTR2CADRB2

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-1392699-A1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-03-03 EP disclosed
WO-2002088139-A1 6H-OXAZOLO[4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 WO disclosed