SCHEMBL7528940

SCHEMBL7528940

O=C1c2ccccc2C(=O)N1CCCCOc1cccc2c1OCCO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.60
MTNR1A P48039 4/20 0.53
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7525811 0.96 HTR1A (0.58) HTR1AMTNR1ARAB9ANPC1HPGD
SCHEMBL7339688 0.76 RAB9A (0.60) RAB9ANPC1HPGDTSHRMAPT
SCHEMBL15064317 0.75 HTR1A (1.00) HTR1A
SCHEMBL7531535 0.74 MTNR1A (0.60) HTR1AMTNR1ASLC6A4
SCHEMBL7522246 0.74 MTNR1A (0.60) HTR1AMTNR1ASLC6A4
SCHEMBL28415240 0.74 NPC1 (0.47) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL11021052 0.74 HPGD (0.66) RAB9ANPC1HPGDTSHRMAPT
SCHEMBL8584312 0.74 MTNR1A (0.60) HTR1AMTNR1ASLC6A4
SCHEMBL10525636 0.73 RAB9A (0.60) RAB9ANPC1HPGDTSHRMAPT
SCHEMBL15064363 0.73 HTR1A (0.96) HTR1A

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-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed