SCHEMBL4753129

SCHEMBL4753129

CC(C)CN1C(=O)[N]c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ HSD17B10 Q99714 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ CYP2D6 P10635 4/20 0.35
▸ CHRM2 P08172 4/20 0.35
▸ HTR1A P08908 4/20 0.35
▸ ADRA2A P08913 4/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ DRD1 P21728 4/20 0.35
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ ADRA1A P35348 4/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ DRD3 P35462 4/20 0.35

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
SCHEMBL7436460 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL4753186 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL4750501 0.77 ADRA2A (0.44) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL4754016 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10SMN1; SMN2TDP1L3MBTL1
SCHEMBL2761355 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10SMN1; SMN2TSHRL3MBTL1
SCHEMBL5544626 0.73 ALDH1A1 (0.53) ALDH1A1PTGS1KMT2APTGS2
SCHEMBL4813307 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TDP1L3MBTL1KDM4E
SCHEMBL299642 0.72 CASP3 (0.44) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL5547622 0.72 CDC25A (0.54) ALDH1A1PTGS1KMT2APTGS2
SCHEMBL8185591 0.71 SLC9A1 (0.35) ALDH1A1SMN1; SMN2L3MBTL1PKMHTR1A

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 — — WO disclosed
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