SCHEMBL3697803

SCHEMBL3697803

CN(C)CCNc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
MAPT P10636 6/20 0.60
KMT2A Q03164 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CASP3 P42574 1/20 0.59
CYP1B1 Q16678 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAOB P27338 2/20 0.57
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3691653 1.00 TLR9 (0.61) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL3691651 1.00 TLR9 (0.61) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL3688246 0.88 MAOB (0.57) MAPTCYP1B1MAOB
SCHEMBL30383554 0.88 MAOB (0.57) MAPTCYP1B1MAOB
SCHEMBL3686695 0.88 MAOB (0.57) MAPTCYP1B1MAOB
SCHEMBL3686697 0.88 MAOB (0.57) MAPTCYP1B1MAOB
SCHEMBL3682132 0.87 MAPT (0.59) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30383292 0.87 BCHE (0.62) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3682133 0.87 BCHE (0.62) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3684640 0.87 MAPT (0.59) MAPTKMT2ANPC1RAB9ASMN1; 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 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