SCHEMBL5744554

SCHEMBL5744554

O=C(OC(F)(F)F)c1cc(Cl)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.46
GRM2 Q14416 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28264517 0.81 KDM4E (0.46) GRM2KDM4EALOX15HTTMAPT
SCHEMBL3281879 0.81 KDM4E (0.60) KDM4EALOX15HTTSMN1; SMN2MAPT
SCHEMBL2775988 0.78 ALOX15 (0.58) GRM2KDM4EALOX15HTTSMN1; SMN2
SCHEMBL163381 0.77 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2MAPTALDH1A1POLB
SCHEMBL27754847 0.77 GRM2 (0.47) IGF1RGRM2KDM4EALOX15HTT
SCHEMBL2708959 0.75 GRM2 (0.63) GRM2
SCHEMBL4304080 0.74 SMN1; SMN2 (0.57) KDM4EHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL164886 0.71 ALDH1A1 (0.55) GRM2KDM4EHTTMAPTALDH1A1
SCHEMBL23496954 0.71 IGF1R (0.44) IGF1RKDM4EMAPTALDH1A1
SCHEMBL9495292 0.70 MAOA (0.47) IGF1RKDM4ESMN1; SMN2MAPTALDH1A1

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-1725529-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN Amgen Inc. (US) 2006-11-29 EP disclosed
WO-2005070885-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2005-08-04 WO disclosed