SCHEMBL3690932

SCHEMBL3690932

Cc1ccccc1-c1ccc(N2CCC(N3CCCC3)CC2)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
L3MBTL3 Q96JM7 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MBTD1 Q05BQ5 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY2R P49146 4/20 0.39
ALDH1A3 P47895 2/20 0.39
SMYD2 Q9NRG4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3688350 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL3681137 0.76 SMYD2 (0.36) HRH3PDCD1CD274KDM2BL3MBTL3
SCHEMBL3698002 0.76 MAPT (0.46) L3MBTL1ALDH1A1SMYD2
SCHEMBL3681135 0.74 PTPN1 (0.36) HRH3PDCD1CD274KDM2BL3MBTL3
SCHEMBL3690597 0.74 PTPN1 (0.36) HRH3PDCD1CD274KDM2BL3MBTL3
SCHEMBL23708166 0.71 MAP4K4 (0.44) KDM2BL3MBTL1ALDH1A1
SCHEMBL26774779 0.71 ACACB (0.42)
SCHEMBL6449542 0.70 ACHE (0.36) HRH3L3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL18983420 0.70 APP (0.41) HRH3PDCD1CD274KDM2BL3MBTL3
SCHEMBL4601494 0.70 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1SMYD2

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
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed