SCHEMBL7217166

SCHEMBL7217166

CCCCCN(C)CCCCOc1ccc2c(c1)CCN2C(=S)Oc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
NOTUM Q6P988 2/20 0.37
FDPS P14324 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 3/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5638655 0.91 FDPS (0.37) THRBNOTUMFDPSDRD2DRD4
SCHEMBL7218495 0.89 NOTUM (0.41) ADRB2ADRB1ADRB3THRATHRB
SCHEMBL5637280 0.88 LSS (0.47) KMT2A
SCHEMBL7213395 0.87 S1PR1 (0.43) ADRB2ADRB1ADRB3THRBNOTUM
SCHEMBL5638582 0.86 LSS (0.41) NOTUMMAOB
SCHEMBL5638932 0.84 KMT2A (0.43) MAPTMAOBKMT2AHRH3LMNA
SCHEMBL5638889 0.83 LSS (0.46) KMT2A
SCHEMBL7218398 0.81 MAPT (0.46) MAPTKMT2AHRH3LMNAPOLB
SCHEMBL5637641 0.79 LSS (0.52) KMT2A
SCHEMBL5638140 0.77 LSS (0.51) KMT2A

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-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP claimed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO claimed