SCHEMBL8019802

SCHEMBL8019802

Fc1ccc(CC2CCNCC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.58
SLC6A2 P23975 5/20 0.46
ALDH1A1 P00352 1/20 0.43
GBA1 P04062 1/20 0.42
SLC6A3 Q01959 3/20 0.40
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL6858425 0.87 SLC6A4 (0.58) SLC6A4SLC6A2GBA1SLC6A3CHRM2
SCHEMBL23842753 0.83 P2RX7 (0.44) SLC6A4SLC6A2ALDH1A1SLC6A3
SCHEMBL1322888 0.83 SLC6A4 (0.61) SLC6A4SLC6A2GBA1SLC6A3MAPK1
SCHEMBL3962949 0.83 SLC6A4 (0.51) SLC6A4SLC6A2GBA1SLC6A3MAPK1
Hydrochloric Acid SCHEMBL4772849 0.82 SLC6A4 (0.60) SLC6A4SLC6A2GBA1SLC6A3MAPK1
Hydrochloric Acid SCHEMBL23830968 0.82 P2RX7 (0.43) SLC6A4SLC6A2ALDH1A1SLC6A3
SCHEMBL21788553 0.81 SLC6A4 (0.58) SLC6A4SLC6A2GBA1SLC6A3MAPK1
SCHEMBL31071558 0.80 SLC6A4 (0.49) SLC6A4SLC6A2GBA1SLC6A3MAPK1
SCHEMBL3970684 0.80 SLC6A4 (0.61) SLC6A4SLC6A2GBA1SLC6A3MAPK1
SCHEMBL22265871 0.80 SLC6A4 (0.47) SLC6A4SLC6A2GBA1SLC6A3CHRM1

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-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed