SCHEMBL6989855

SCHEMBL6989855

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCNCC3)c2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 3/20 0.39
HTR4 Q13639 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
CXCR3 P49682 1/20 0.39
PPARD Q03181 1/20 0.39
MBTPS1 Q14703 1/20 0.38
CTSD P07339 1/20 0.38
EP300 Q09472 1/20 0.38
VNN1 O95497 1/20 0.38
LTA4H P09960 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL6990268 0.90 HTR4 (0.41) BRD4FAAHACHEALDH1A1LMNA
SCHEMBL6989025 0.90 HTR4 (0.43) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6988472 0.87 FAAH (0.46) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6990414 0.84 HTR4 (0.43) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6985733 0.84 HTR4 (0.43) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6986612 0.84 HTR4 (0.43) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6985413 0.84 HTR4 (0.43) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6983529 0.82 HTR4 (0.42) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6987917 0.82 HTR4 (0.42) FAAHACHEALDH1A1LMNASMN1; SMN2
SCHEMBL6987679 0.81 HTR4 (0.41) FAAHACHEALDH1A1LMNASMN1; 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
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed