SCHEMBL13746786

SCHEMBL13746786

COC(=O)c1ccc2c(c1)c1c(n2CCCN2CC(C)OC(C)C2)C(F)(F)CCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ CREBBP Q92793 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL4030106 0.85 SCARB1 (0.61) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13746921 0.85 SCARB1 (0.50) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13747925 0.82 SCARB1 (0.52) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13746912 0.76 SCARB1 (0.50) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4027183 0.75 SCARB1 (0.70) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13746919 0.74 SCARB1 (0.57) SCARB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13746624 0.71 SCARB1 (0.60) SCARB1KDM4EKMT2ANPC1CNR2
SCHEMBL4189175 0.70 SCARB1 (0.69) SCARB1ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL4030252 0.69 SCARB1 (0.70) SCARB1ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL4024931 0.68 SCARB1 (0.69) SCARB1ALDH1A1KDM4EHPGDNPC1

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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