SCHEMBL7523264

SCHEMBL7523264

O=C(O)CCCCc1cccc2c1OCCO2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.71
KDM4E B2RXH2 1/20 0.46
LTB4R Q15722 6/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
F13A1 P00488 3/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
LTB4R2 Q9NPC1 5/20 0.41

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
SCHEMBL6649870 0.95 MTNR1A (0.71) MTNR1AKDM4ELTB4RROCK2CYP3A4
SCHEMBL3430852 0.89 MTNR1A (0.62) MTNR1AKDM4EROCK2CYP3A4CYP2D6
SCHEMBL9160573 0.88 MTNR1A (0.56) MTNR1ALTB4RF13A1MAPTRXFP1
SCHEMBL7524387 0.83 MTNR1A (1.00) MTNR1AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL8481573 0.81 MTNR1A (0.66) MTNR1ACYP3A4CYP2D6CYP2C9CTNNB1
SCHEMBL7516488 0.81 MTNR1A (0.69) MTNR1A
SCHEMBL7526419 0.80 MTNR1A (0.61) MTNR1AKDM4EROCK2CYP3A4CYP2D6
SCHEMBL3639598 0.80 MTNR1A (0.59) MTNR1AKDM4EROCK2CYP3A4CYP2D6
SCHEMBL7520035 0.79 MTNR1A (1.00) MTNR1AROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL27911302 0.79 MTNR1A (0.48) MTNR1AKDM4EROCK2CYP3A4CYP2D6

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 3 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
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed