SCHEMBL5569888

SCHEMBL5569888

O=C(O)C(I)(c1ccccc1F)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 5/20 0.41
▸ LMNA P02545 1/20 0.39
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ CYP2B6 P20813 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL1316739 0.71 GAA (0.38) KCNN4LMNAHPGDALDH1A1KDM4E
SCHEMBL1316741 0.71 GAA (0.38) KCNN4LMNAHPGDALDH1A1KDM4E
SCHEMBL27939611 0.70 ALDH1A1 (0.36) KCNN4LMNAHPGDALDH1A1MEN1
SCHEMBL28810547 0.70 ALDH1A1 (0.36) KCNN4LMNAHPGDALDH1A1MEN1
SCHEMBL31414989 0.66 KCNN4 (0.52) KCNN4LMNAKCNE1KCNQ1HPGD
SCHEMBL17420795 0.66 KCNN4 (0.52) KCNN4LMNAKCNE1KCNQ1HPGD
SCHEMBL3818506 0.66 KCNN4 (0.52) KCNN4KCNE1KCNQ1ALDH1A1KMT2A
SCHEMBL7178206 0.65 KCNN4 (0.50) KCNN4KCNE1KCNQ1ALDH1A1KMT2A
SCHEMBL30501782 0.65 KCNN4 (0.50) KCNN4KCNE1KCNQ1ALDH1A1KMT2A
SCHEMBL1239901 0.65 KCNN4 (0.50) KCNN4KCNE1KCNQ1ALDH1A1KMT2A

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-1841738-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-10-10 — — EP disclosed
WO-2007081299-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2007-07-19 — — WO disclosed
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