SCHEMBL8552249

SCHEMBL8552249

Cc1sc2ccc(NC(=O)c3ccc(F)cc3Br)cc2c1CCN(C)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.43
HTR1F P30939 2/20 0.38
TRPV1 Q8NER1 3/20 0.35
MAPT P10636 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
F10 P00742 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
NAMPT P43490 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL8194633 0.83 HTR1F (0.59) F2RHTR1FMAPTALDH1A1KDM4E
SCHEMBL8551891 0.72 HTR1F (0.49) HTR1FMAPTALDH1A1KDM4ENAMPT
Malonic Acid SCHEMBL8548925 0.69 HTR1F (0.47) HTR1FMAPTALDH1A1KDM4ENAMPT
SCHEMBL17142560 0.65 F2R (0.55) F2RMAPTALDH1A1LMNA
SCHEMBL8547156 0.65 HTR1F (0.49) HTR1FMAPTPOLB
SCHEMBL8553688 0.64 HTR1F (0.42) HTR1FMAPTALDH1A1KDM4EPOLB
SCHEMBL17148222 0.62 F2R (0.54) F2RMAPTALDH1A1POLBLMNA
SCHEMBL8551441 0.61 ACKR3 (0.49) HTR1FTRPV1MAPT
SCHEMBL10069477 0.61 F2R (1.00) F2R
SCHEMBL8549211 0.61 HTR1F (0.49) HTR1FMAPTALDH1A1KDM4EPTGDR2

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed