SCHEMBL7096281

SCHEMBL7096281

Cc1nc(NCC(=O)N2CCC(CN3CCCCC3)CC2)c(C(=O)c2ccc3cc[nH]c3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
HTR4 Q13639 2/20 0.41
MAPT P10636 8/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX12 P18054 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36
GAA P10253 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7142275 0.91 ACHE (0.41) ACHEHTR4MAPTALDH1A1KDM4E
SCHEMBL7098081 0.78 ACHE (0.41) ACHEHTR4MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7140810 0.78 ACHE (0.41) ACHEHTR4MAPTALDH1A1KDM4E
SCHEMBL7092866 0.77 ACHE (0.42) ACHEHTR4MAPTALDH1A1KDM4E
SCHEMBL6421808 0.73 ACHE (0.43) ACHEHTR4MAPTALDH1A1KDM4E
SCHEMBL7098239 0.70 F10 (0.42) MAPTHPGDLMNATHRBGAA
SCHEMBL7139465 0.69 MAPT (0.40) MAPTALDH1A1TP53LMNATHRB
SCHEMBL7093086 0.69 F10 (0.40) MAPTLMNATHRBGAA
SCHEMBL6421191 0.69 ACHE (0.45) ACHEHTR4MAPTALDH1A1KDM4E
SCHEMBL6421723 0.69 MAPT (0.47) MAPTTP53LMNATHRBGAA

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