SCHEMBL7542979

SCHEMBL7542979

c1cc(NCc2ccc(OC(C3CCCCC3)C3CCCCC3)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.55
PRSS1 P07477 1/20 0.55
CSF1R P07333 1/20 0.46
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 3/20 0.39
EPHX1 P07099 1/20 0.39
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL7316990 0.79 CXCR4 (0.56) F2PRSS1MAPTHDAC1SMN1; SMN2
SCHEMBL7317672 0.75 LMNA (0.58) MAPTEPHX1SMN1; SMN2MEN1NPC1
SCHEMBL19242051 0.72 F2 (0.61) F2PRSS1MAPTHDAC1LTA4H
SCHEMBL7320596 0.72 GRM2 (0.39) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL7312703 0.72 SMN1; SMN2 (0.40) SMN1; SMN2LTA4HMEN1NPC1RAB9A
SCHEMBL7311884 0.72 GRM2 (0.41) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL7551967 0.70 F2 (0.69) F2PRSS1KDM4CMAPTHDAC1
SCHEMBL7317002 0.70 NOS2 (0.48) KDM4CEPHX1SMN1; SMN2MEN1KMT2A
SCHEMBL19241691 0.69 F2 (0.56) F2PRSS1MAPTHDAC1LTA4H
SCHEMBL19241982 0.68 F2 (0.56) F2PRSS1MAPTHDAC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927035-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0927035-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-07-07 EP disclosed
WO-1998010763-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-03-19 WO disclosed