SCHEMBL9210834

SCHEMBL9210834

O=c1oc2ncccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.58
HTR1A P08908 4/20 0.58
ADRA1A P35348 2/20 0.58
ABCB11 O95342 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRM1 P35372 1/20 0.58
KCNH2 Q12809 1/20 0.58
DRD2 P14416 4/20 0.50
HTR7 P34969 5/20 0.49
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL9644841 0.84 DRD3 (0.53) DRD3HTR1AADRA1AABCB11ADRA2A
SCHEMBL9215528 0.84 HTR7 (0.59) HTR1AKCNH2HTR7
SCHEMBL9216657 0.81 MEN1 (0.50) HTR1ASLC6A4HTR7HTR2AMAPT
SCHEMBL9646475 0.79 DRD3 (0.53) DRD3HTR1AADRA1ADRD1SLC6A4
SCHEMBL9219564 0.78 HTR1A (0.69) HTR1AHTR7
SCHEMBL9219074 0.78 HTR1A (0.66) DRD3HTR1AHTR7
SCHEMBL9646450 0.77 KDM4E (0.49) DRD3HTR1AADRA1AABCB11ADRA2A
SCHEMBL9219866 0.77 TMEM97 (0.49) DRD2SIGMAR1
SCHEMBL9221444 0.76 SIGMAR1 (0.49) SIGMAR1KDM4EPOLB
SCHEMBL9597086 0.76 TMEM97 (0.51) SIGMAR1

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-0487408-B1 Oxazolopyridine derivatives, process for their preparation and pharmaceutical compositions comprising the same ADIR (FR) 1995-06-21 EP claimed
US-5130311-A Analgesics or antiinflammatory agents ADIR ET COMPAGNIE (FR) 1992-07-14 US claimed
US-5242923-A Analgesics ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
US-5130311-A Analgesics or antiinflammatory agents ADIR ET COMPAGNIE (FR) 1992-07-14 US disclosed