SCHEMBL6986433

SCHEMBL6986433

O=C(CNc1c(C(=O)c2ccc3c(Cl)c[nH]c3c2)ccc2ccccc12)NCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.38
F10 P00742 3/20 0.37
KDM1A O60341 1/20 0.37
HTR4 Q13639 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM5 P08912 2/20 0.36
MDM2 Q00987 1/20 0.36
PLAT P00750 1/20 0.35
KLKB1 P03952 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
SCHEMBL6985644 0.88 F10 (0.38) CHRM1F10KDM1AHTR4MDM2
SCHEMBL6982644 0.88 F10 (0.38) F10CHRM2PLATKLKB1
SCHEMBL6983309 0.81 ACP1 (0.42) CHRM1F10KDM1A
SCHEMBL7097521 0.76 F10 (0.42) CHRM1F10CHRM2CHRM4CHRM3
SCHEMBL5868109 0.76 KMT2A (0.41) CHRM1F10HTR4CHRM2CHRM4
SCHEMBL6987891 0.76 F10 (0.38) F10PLATKLKB1
SCHEMBL5867988 0.75 SLC6A4 (0.40) CHRM1F10HTR4PLATKLKB1
SCHEMBL6984625 0.70 F10 (0.38) F10PLATKLKB1
SCHEMBL5868037 0.69 AR (0.38) CHRM1F10PLATKLKB1
SCHEMBL6989921 0.69 KMT2A (0.40) CHRM1KDM1ACHRM2CHRM4CHRM3

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