SCHEMBL7142275

SCHEMBL7142275

Nc1nc(NCC(=O)N2CCC(CN3CCCCC3)CC2)c(C(=O)c2ccc3cc[nH]c3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
HTR4 Q13639 3/20 0.41
MAPT P10636 8/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
ALOX12 P18054 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CHRNA7 P36544 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7096281 0.91 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL7092866 0.77 ACHE (0.42) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL7098081 0.75 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7140810 0.74 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6421414 0.73 ACHE (0.41) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6421191 0.69 ACHE (0.45) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6423265 0.69 MAPT (0.42) MAPTLMNAPOLBTP53THRB
SCHEMBL6421808 0.68 ACHE (0.43) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL6420686 0.67 ACHE (0.43) ACHEHTR4MAPTKDM4EALDH1A1
SCHEMBL7093086 0.66 F10 (0.40) MAPTLMNATHRB

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