SCHEMBL7092866

SCHEMBL7092866

O=C(c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1NCC(=O)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
HTR4 Q13639 3/20 0.42
KDM2B Q8NHM5 3/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.38
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 1/20 0.37
ALOX12 P18054 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
THRB P10828 1/20 0.36
GHSR Q92847 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7093086 0.88 F10 (0.40) KDM2BMAPTLMNAF10THRB
SCHEMBL7097521 0.81 F10 (0.42) F10
SCHEMBL7098081 0.80 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7140810 0.80 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL7142275 0.77 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL7096281 0.77 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6420993 0.76 ACHE (0.42) ACHEHTR4KDM2BMAPTKDM4E
SCHEMBL6421191 0.73 ACHE (0.45) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6420686 0.70 ACHE (0.43) ACHEHTR4KDM2BMAPTKDM4E
SCHEMBL6420479 0.70 KDM4E (0.42) ACHEHTR4MAPTKDM4EALDH1A1

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-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed