SCHEMBL6682828

SCHEMBL6682828

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(Cc3ccccn3)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.46
S1PR3 Q99500 8/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SMO Q99835 2/20 0.42
NTRK1 P04629 1/20 0.42
TRPV1 Q8NER1 1/20 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
SCHEMBL6685612 0.88 S1PR1 (0.46) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL6679166 0.84 GRM4 (0.48) S1PR1S1PR3TRPV1
SCHEMBL6681703 0.82 S1PR1 (0.44) S1PR1S1PR3NTRK1
SCHEMBL6683684 0.82 HTR2A (0.47) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL6488609 0.80 SMO (0.53) SMOTRPV1
SCHEMBL6638338 0.80 S1PR1 (0.43) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL6683660 0.80 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL6793867 0.79 HTT (0.62) SMO
SCHEMBL6666202 0.79 S1PR1 (0.47) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL6677363 0.79 NPC1 (0.48) S1PR1S1PR3

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed