SCHEMBL6956244

SCHEMBL6956244

O=C(O)Nc1c(Cl)cc(-c2nn([C@H]3CCNC3)c(=O)o2)c2c1OCCO2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 2/20 0.33
PAICS P22234 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
S1PR2 O95136 1/20 0.32
CNR1 P21554 3/20 0.31
HTR4 Q13639 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8306207 0.94 GPR55 (0.35) FSCN1PAICSGPR55CNR1HTR4
SCHEMBL7799605 0.85 GPR55 (0.34) GPR55CNR1HTR4
SCHEMBL8307581 0.84 GPR55 (0.38) GPR55CNR1HTR4
SCHEMBL8308257 0.81 NR3C1 (0.39) GPR55CNR1HTR4
SCHEMBL8365008 0.80 SMN1; SMN2 (0.39) FSCN1GPR55CNR1CYP3A4CYP2D6
SCHEMBL8309066 0.79 HTR4 (0.46) GPR55HTR4CYP3A4CYP2D6CYP2C9
SCHEMBL6962731 0.79 MDM2 (0.37) GPR55CNR1HTR4
SCHEMBL7749150 0.79 MDM2 (0.37) GPR55CNR1HTR4
SCHEMBL8307419 0.79 HTR4 (0.36) GPR55CNR1HTR4
SCHEMBL7799596 0.79 HTR4 (0.36) GPR55HTR4CYP3A4CYP2D6CYP2C9

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-0980368-B1 3-(PYRROLIDIN-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AND THEIR USE AS 5-HT4 LIGANDS SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 US disclosed