SCHEMBL5047722

SCHEMBL5047722

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CN(O)Cc3ccc(I)cc3)c(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HDAC3 O15379 4/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5047842 0.88 TRPV1 (0.46) TRPV1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL1856005 0.87 TRPV1 (0.41) TRPV1ALDH1A1HPGDHDAC3SPHK1
SCHEMBL5047479 0.86 MAPK14 (0.47) TRPV1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1857834 0.78 TRPV1 (0.44) TRPV1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL5044865 0.77 TRPV1 (0.47) TRPV1ALDH1A1HPGDHDAC3HDAC1
SCHEMBL4317777 0.76 LSS (0.49) TRPV1
SCHEMBL1859045 0.75 STAT3 (0.46) TRPV1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL5045568 0.75 FOLH1 (0.46) ALDH1A1HPGDTMEM97SIGMAR1SMN1; SMN2
SCHEMBL1856089 0.74 EPHX2 (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL6023278 0.73 TRPV1 (0.53) TRPV1ALDH1A1HPGDHDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed