SCHEMBL7896872

SCHEMBL7896872

CCCCOc1nsnc1OC1CC2CNC1C2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.60
IRAK4 Q9NWZ3 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
SCHEMBL8192864 0.95 CHRM1 (0.58) CHRM1
SCHEMBL8198388 0.92 CHRM1 (0.49) CHRM1IRAK4
Hydrochloric Acid SCHEMBL8192929 0.91 CHRM1 (0.48) CHRM1IRAK4
Hydrochloric Acid SCHEMBL8184166 0.85 CHRM1 (0.41) CHRM1IRAK4
SCHEMBL7885720 0.84 CHRM1 (0.44) CHRM1IRAK4
SCHEMBL8195607 0.83 IRAK4 (0.36) CHRM1IRAK4
SCHEMBL7892206 0.81 CHRM1 (0.40) CHRM1IRAK4
SCHEMBL8183398 0.79 IRAK4 (0.35) CHRM1IRAK4
SCHEMBL8196699 0.79 CHRM1 (0.59) CHRM1IRAK4
SCHEMBL8193429 0.79 CHRM1 (0.57) CHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124312-A ACTIVE DRUG FOR TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-09-26 US claimed
EP-0900204-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-03-21 EP disclosed
US-6124312-A ACTIVE DRUG FOR TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-09-26 US disclosed
EP-0900204-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
WO-1997040016-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed