SCHEMBL3686477

SCHEMBL3686477

Cc1cc(C)cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
BACE1 P56817 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL6492674 0.87 GPR119 (0.52) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL31618922 0.82 SMN1; SMN2 (0.48) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL5913105 0.82 SMN1; SMN2 (0.48) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL29964224 0.81 BACE1 (0.53) GPR119LMNAMAPTALDH1A1BACE1
SCHEMBL2421324 0.81 MEN1 (0.52) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL3691360 0.81 BACE1 (0.53) GPR119LMNAMAPTALDH1A1BACE1
SCHEMBL31618903 0.81 MEN1 (0.52) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL31618910 0.79 GPR119 (0.52) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL2421716 0.79 GPR119 (0.52) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL3687379 0.79 HRH4 (0.41) LMNAMAPTALDH1A1SMN1; SMN2

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 4 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed