SCHEMBL6977312

SCHEMBL6977312

O=C(c1ccc2cc[nH]c2c1)c1cccnc1NCC(=O)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.46
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.40

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
SCHEMBL6983386 0.89 SCD (0.49) SCD
SCHEMBL6983361 0.86 SCD (0.48) SCD
SCHEMBL6981269 0.83 SCD (0.52) SCDEPHX2
Hydrochloric Acid SCHEMBL6983385 0.80 SIGLEC9 (0.40) SCDKDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL6988459 0.77 MAPK14 (0.41) KDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL6984405 0.77 SCD (0.50) SCDEPHX2
SCHEMBL6346040 0.76 KDM4E (0.43) KDM4EPOLBMAPK1SMN1; SMN2EPHX2
SCHEMBL6347242 0.76 KDM4E (0.43) KDM4EPOLBMAPK1SMN1; SMN2EPHX2
SCHEMBL6982506 0.75 SCD (0.47) SCDEPHX2
SCHEMBL6982128 0.75 SCD (0.42) SCDEPHX2

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed