SCHEMBL3404013

SCHEMBL3404013

O=C(O)CNCC1(Nc2ccccc2I)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.35
ADRB2 P07550 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 3/20 0.33
HDAC4 P56524 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3404997 0.82 NPFFR1 (0.41) ADRB2ALDH1A1HTTNPFFR1NPFFR2
SCHEMBL3410176 0.72 DPP4 (0.38)
SCHEMBL7015711 0.69 CTSS (0.51) ADRB2ALDH1A1HTTCA1CA2
SCHEMBL3407709 0.67 SIGMAR1 (0.40) CETPALDH1A1
SCHEMBL3404994 0.65 CYP1A2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL18426282 0.65 MME (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL3410556 0.63 CYP1A2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL27750414 0.63 HPGD (0.38) CETPALDH1A1
SCHEMBL1736885 0.62 ALDH1A1 (0.64) ALDH1A1CA1CA2KMT2AL3MBTL1
SCHEMBL6540719 0.61 ADRB2 (0.45) ADRB2ALDH1A1HTTKMT2ALMNA

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
EP-2197851-A1 DERIVATIVES OF N-PHENYLACETAMIDE AS INHIBITORS OF THE ENZYME SOAT1 FOR PHARMACEUTICAL AND COSMETIC USE Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030750-A1 DERIVATIVES OF N-PHENYLACETAMIDE AS INHIBITORS OF THE ENZYME SOAT1 FOR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed