SCHEMBL3943593

SCHEMBL3943593

COc1cccc2[nH]cc(C(=O)C(=O)N(CC(=O)O)CC(=O)N(C3CCCCC3)C3CCCCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
PSEN1 P49768 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
SCHEMBL3942488 0.82 RAB9A (0.49) POLBHDAC1SMN1; SMN2
SCHEMBL3943595 0.81 HDAC3 (0.36) MAPTALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL3945339 0.76 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1HTR2AHDAC1
SCHEMBL3943591 0.75 RAB9A (0.39) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL4211551 0.73 MAPT (0.59) MAPTALDH1A1L3MBTL1TP53POLB
SCHEMBL3950434 0.73 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL3941329 0.73 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL24999300 0.72 HTR6 (0.45) HTR2AMTNR1AMTNR1BHDAC3HDAC1
SCHEMBL3950369 0.72 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL24746654 0.72 HTR6 (0.49) MAPTALDH1A1HTR2AHTR2CHTR2B

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed