SCHEMBL7346191

SCHEMBL7346191

Fc1cc(I)ccc1C(CCN(Cc1ccccc1)Cc1ccccc1)Oc1cccc(I)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC1A5 Q15758 2/20 0.34
BCHE P06276 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEP1B Q16820 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MDM2 Q00987 1/20 0.32
CETP P11597 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL7345316 0.92 NPC1 (0.34) CALM1CAMKK2HTTSLC6A4SLC1A5
SCHEMBL7351618 0.87 SLC1A5 (0.39) CALM1CAMKK2HTTSLC6A4SLC1A5
SCHEMBL7354056 0.85 SLC1A5 (0.38) CALM1CAMKK2HTTSLC6A4SLC1A5
SCHEMBL7351672 0.83 SLC6A9 (0.44) CALM1CAMKK2SLC6A4SLC1A5MEP1B
SCHEMBL7346492 0.80 SLC6A4 (0.42) SLC6A4BCHEKDM4EMEN1KMT2A
SCHEMBL7353033 0.80 SLC6A4 (0.36) SLC6A4IDO1
SCHEMBL7347249 0.77 HTT (0.44) HTTSLC6A4SLC1A5KDM4EMEN1
SCHEMBL7346830 0.74 SLC6A4 (0.39) HTTSLC6A4TSHRKDM4E
SCHEMBL7356394 0.73 L3MBTL1 (0.44) TSHRHSD17B10MEN1KMT2A
SCHEMBL7348152 0.72 SLC6A4 (0.40) SLC6A4KDM4EMEN1KMT2A

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed