SCHEMBL6618445

SCHEMBL6618445

O=C(Cc1ccc(I)cc1)C(Cc1ccccc1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 2/20 0.45
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 2/20 0.41
RAB9A P51151 1/20 0.40
OPRD1 P41143 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4463271 0.80 LMNA (0.68) SLC6A4SLC6A2SLC6A3LMNASIGMAR1
SCHEMBL11251072 0.77 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3LMNASIGMAR1
SCHEMBL6421876 0.77 LMNA (0.64) SLC6A4SLC6A2SLC6A3LMNARAB9A
SCHEMBL21809307 0.74 KDM4E (0.41) SLC6A4SLC6A2SLC6A3OPRD1ALDH1A1
SCHEMBL4039568 0.74 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3LMNARAB9A
SCHEMBL9309772 0.73 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3LMNAOPRD1
SCHEMBL4560932 0.72 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3SIGMAR1OPRD1
SCHEMBL2905656 0.71 LMNA (0.56) SLC6A4SLC6A2SLC6A3LMNARAB9A
SCHEMBL8234489 0.70 LMNA (0.51) SLC6A4SLC6A2SLC6A3LMNAOPRD1
SCHEMBL4131831 0.69 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1KMT2A

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-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed