SCHEMBL7143716

SCHEMBL7143716

COc1ccccc1OCCN(Cc1ccccc1)C(Oc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.43
DRD2 P14416 2/20 0.40
MTNR1B P49286 1/20 0.38
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
BCHE P06276 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5380681 0.81 POLB (0.46) HTR6DRD2MTNR1BLMNAHPGD
SCHEMBL5375729 0.78 ADRB2 (0.50) HTR6DRD2LMNAKMT2ABCHE
SCHEMBL11080474 0.72 HTR1A (0.43) LMNAHPGDPOLBKMT2AMAPT
SCHEMBL6552584 0.66 ADRB3 (0.43) MAPTKDM4ECYP3A4TSHRCYP2C19
SCHEMBL5376311 0.65 MTNR1B (0.45) HTR6DRD2MTNR1BLMNAKMT2A
SCHEMBL4436284 0.64 ADRB2 (0.55) HTR6DRD2LMNAKMT2ABCHE
SCHEMBL8150115 0.62 LMNA (0.53) LMNAPOLBKMT2AMEN1BCHE
SCHEMBL6554335 0.62 L3MBTL1 (0.46) POLBMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL5378582 0.61 ALDH1A1 (0.43) HTR6MTNR1BLMNABCHEKDM4E
SCHEMBL16550062 0.61 MAPT (0.44) HTR6DRD2LMNAKMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed