SCHEMBL7465475

SCHEMBL7465475

C1=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CCN(CCc2cnn(-c3ccccc3)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.57
DRD2 P14416 11/20 0.57
HTR2A P28223 2/20 0.57
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL7452193 0.88 HTR1A (0.57) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7455854 0.88 HTR1A (0.60) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7461126 0.86 HTR1A (0.53) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL7456118 0.81 HTR1A (0.49) HTR1ADRD2HTR2A
SCHEMBL7649906 0.81 HTR1A (0.83) HTR1ADRD2HTR2AOPRM1OPRK1
SCHEMBL5365266 0.78 SLC6A4 (0.69) HTR1ADRD2HTR2A
SCHEMBL6133368 0.76 DRD2 (0.71) HTR1ADRD2HTR2ADRD4DRD3
Bromide SCHEMBL9049971 0.76 HTR1A (0.51) HTR1ADRD2HTR2ASIGMAR1
Phthalic Acid SCHEMBL9045536 0.76 OPRM1 (0.53) HTR1ADRD2OPRM1OPRK1
Phthalic Acid SCHEMBL30909196 0.76 OPRM1 (0.53) HTR1ADRD2OPRM1OPRK1

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-0708102-B1 5-HT1F agonists for the treatment of migraine LILLY CO ELI (US) 2002-12-11 EP disclosed
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed