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SCHEMBL6982644

SCHEMBL6982644

O=C(CNc1c(C(=O)c2ccc3c(Cl)c[nH]c3c2)ccc2ccccc12)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCR3 P51677 2/20 0.35
▸ CHRM2 P08172 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
SCHEMBL6987891 0.89 F10 (0.38) F10PLATKLKB1CCR3
SCHEMBL6986433 0.88 CHRM1 (0.38) F10PLATKLKB1CHRM2
SCHEMBL6984625 0.83 F10 (0.38) F10PLATKLKB1
SCHEMBL5868032 0.80 F10 (0.38) F10PLATKLKB1
SCHEMBL7097521 0.79 F10 (0.42) F10PLATKLKB1CHRM2
SCHEMBL6177113 0.79 KMT2A (0.38) F10PLATKLKB1KMT2ASMN1; SMN2
SCHEMBL5867977 0.77 F10 (0.38) F10PLATKLKB1CCR3
SCHEMBL6985644 0.76 F10 (0.38) F10PLATKLKB1
SCHEMBL5868199 0.76 F10 (0.40) F10PLATKLKB1
SCHEMBL6985512 0.75 KDM4E (0.45) F10CCR3CHRM2

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