SCHEMBL8670585

SCHEMBL8670585

O=Cc1ccc(Cl)c(C(=O)NCC(C(=O)N2CCOCC2)c2cccc3[nH]c(C(F)(F)F)nc23)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.40
TRPV1 Q8NER1 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8598379 0.71 ALDH1A1 (0.41) TRPV1KDM4EHPGD
SCHEMBL8596744 0.70 TRPV1 (0.41) P2RX7TRPV1DRD2DRD4DRD3
SCHEMBL8670592 0.68 KMT2A (0.38) KDM4E
SCHEMBL8670588 0.63 RORC (0.35)
SCHEMBL8670583 0.62 TSHR (0.35) KDM4E
SCHEMBL29935873 0.61 MEN1 (0.58) TRPV1DRD2DRD4DRD3KDM4E
SCHEMBL28610898 0.61 MEN1 (0.58) TRPV1DRD2DRD4DRD3KDM4E
SCHEMBL8599475 0.61 TRPV1 (0.65) TRPV1KDM4EHPGD
SCHEMBL4573462 0.59 TDP1 (0.45) DRD2DRD4DRD3KDM4E
SCHEMBL27921631 0.58 PIK3C2B (0.46)

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed