SCHEMBL3684549

SCHEMBL3684549

CN(C)CCN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.59
MAOA P21397 3/20 0.59
CXCL12 P48061 2/20 0.57
CYP1B1 Q16678 2/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
TLR9 Q9NR96 1/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL3688379 1.00 MAOB (0.59) MAOBMAOACXCL12CYP1B1CRHBP
SCHEMBL3684551 1.00 MAOB (0.59) MAOBMAOACXCL12CYP1B1CRHBP
SCHEMBL25197170 0.90 MAOB (0.59) MAOBMAOACXCL12CYP1B1CRHBP
SCHEMBL25194492 0.90 MAOB (0.59) MAOBMAOACXCL12CYP1B1CRHBP
SCHEMBL3684185 0.87 TNFRSF1A (0.63) MAOBMAOACYP1B1CRHBPCRHR2
SCHEMBL3684182 0.87 TNFRSF1A (0.63) MAOBMAOACYP1B1CRHBPCRHR2
SCHEMBL3693367 0.87 TNFRSF1A (0.63) MAOBMAOACYP1B1CRHBPCRHR2
SCHEMBL3694987 0.86 MAPT (0.68) MAOBCYP1B1CRHBPCRHR2TLR9
SCHEMBL3686088 0.86 MAPT (0.68) MAOBCYP1B1CRHBPCRHR2TLR9
SCHEMBL3686086 0.86 MAPT (0.68) MAOBCYP1B1CRHBPCRHR2TLR9

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