SCHEMBL6987891

SCHEMBL6987891

O=C(CNc1ccc2ccccc2c1C(=O)c1ccc2c(Cl)c[nH]c2c1)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
CCR3 P51677 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL6982644 0.89 F10 (0.38) F10PLATKLKB1CCR3
SCHEMBL6985644 0.88 F10 (0.38) F10PLATKLKB1
SCHEMBL6984625 0.86 F10 (0.38) F10PLATKLKB1HRH3
SCHEMBL5868032 0.81 F10 (0.38) F10PLATKLKB1HRH3
SCHEMBL6177113 0.79 KMT2A (0.38) F10PLATKLKB1CCR3KDM4E
SCHEMBL5867977 0.78 F10 (0.38) F10PLATKLKB1CCR3HRH3
SCHEMBL5868199 0.76 F10 (0.40) F10PLATKLKB1HRH3
SCHEMBL6986433 0.76 CHRM1 (0.38) F10PLATKLKB1
SCHEMBL6985512 0.75 KDM4E (0.45) F10CCR3KDM4EALDH1A1
SCHEMBL6983309 0.73 ACP1 (0.42) F10

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed