SCHEMBL6983309

SCHEMBL6983309

O=C(CNc1cc(C(=O)c2ccc3c(Cl)c[nH]c3c2)nc2ccccc12)NCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.42
KDM1A O60341 1/20 0.38
ABL1 P00519 1/20 0.38
F10 P00742 2/20 0.38
CHRM1 P11229 3/20 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
SCHEMBL6984625 0.88 F10 (0.38) F10
SCHEMBL6985644 0.85 F10 (0.38) KDM1AF10CHRM1
SCHEMBL6985286 0.81 ACP1 (0.45) ACP1KDM1A
SCHEMBL6986433 0.81 CHRM1 (0.38) KDM1AF10CHRM1
SCHEMBL7092571 0.78 F10 (0.42) ACP1F10
SCHEMBL6987891 0.73 F10 (0.38) F10
SCHEMBL5868037 0.73 AR (0.38) F10CHRM1
SCHEMBL5868109 0.72 KMT2A (0.41) F10CHRM1
SCHEMBL5867988 0.70 SLC6A4 (0.40) F10CHRM1
SCHEMBL5868032 0.70 F10 (0.38) 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