SCHEMBL8520592

SCHEMBL8520592

CC1CCCCC1(N)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL4558467 0.79 NPSR1 (0.38) CHRM1ALDH1A1
SCHEMBL8519318 0.77 CHRM1 (0.48) CHRM1ALDH1A1SLC6A4
SCHEMBL13992792 0.73 ALDH1A1 (0.38) CHRM1ALDH1A1SLC6A4SLC6A3
SCHEMBL23595697 0.73
SCHEMBL23595698 0.73
SCHEMBL8413432 0.72 PRCP (0.45) CHRM1SLC6A4SLC6A3
SCHEMBL8410312 0.72 PRCP (0.45) CHRM1SLC6A4SLC6A3
SCHEMBL8410313 0.72 PRCP (0.45) CHRM1SLC6A4SLC6A3
SCHEMBL13992800 0.71 SLC6A4 (0.38) CHRM1ALDH1A1SLC6A4SLC6A3
SCHEMBL23595680 0.69 HDAC4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972952-A THERAPY FOR STROKE, NERVOUS SYSTEM DISORDERS, ALZHEIMER'SDISEASE LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-10-26 US disclosed