SCHEMBL3683620

SCHEMBL3683620

CN(C)CCN(C)c1ccc(C=CC(=O)c2cnc3ccccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
RAB9A P51151 2/20 0.48
TRPV1 Q8NER1 8/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL3691832 1.00 PPARA (0.52) PPARARAB9ATRPV1KMT2ACYP3A4
SCHEMBL3683621 0.90 RAB9A (0.55) RAB9ATRPV1KMT2ACYP3A4MEN1
SCHEMBL3686981 0.84 PPARA (0.49) PPARARAB9AKMT2ACYP3A4MEN1
SCHEMBL3689616 0.84 PPARA (0.49) PPARARAB9AKMT2ACYP3A4MEN1
SCHEMBL3694391 0.81 KMT2A (0.47) RAB9AKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3683565 0.81 KMT2A (0.47) RAB9AKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26658659 0.81 PPARA (0.64) PPARARAB9AKMT2ACYP3A4MEN1
SCHEMBL10275466 0.78 CYP3A4 (0.62) PPARARAB9AKMT2ACYP3A4MEN1
SCHEMBL10275085 0.78 CYP1B1 (0.67) PPARARAB9AKMT2ACYP3A4CYP1A2
SCHEMBL3683567 0.76 PFKFB3 (0.60) RAB9AKMT2AMEN1MAPTCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
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