SCHEMBL10568341

SCHEMBL10568341

CCN(CC)CCCCCCC(CO)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CACNA2D1 P54289 9/20 0.43
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 1/20 0.39
HRH1 P35367 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
Hydrochloric Acid SCHEMBL9631871 0.99 SIGMAR1 (0.46) SIGMAR1CACNA2D1HTR1DHTR1BSLC6A4
Hydrochloric Acid SCHEMBL10570547 0.88 CDYL (0.40) SIGMAR1HTR1DHTR1BSLC6A4
SCHEMBL10568604 0.86 HTR1B (0.47) SIGMAR1HTR1BSLC6A4HRH1
Hydrochloric Acid SCHEMBL9631831 0.85 HTR1B (0.46) SIGMAR1HTR1BSLC6A4HRH1
SCHEMBL27654863 0.85 KMT2A (0.45) SLC6A4
SCHEMBL8957571 0.85 KMT2A (0.45) SLC6A4
SCHEMBL7381122 0.82 ALDH1A1 (0.42) SLC6A4
SCHEMBL28830561 0.78 ALDH1A1 (0.44) SLC6A4
SCHEMBL7384532 0.78 ALDH1A1 (0.44) SLC6A4
Hydrochloric Acid SCHEMBL9734251 0.76 HTR1B (0.42) HTR1BSLC6A4HRH1

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-4820717-A Antimicrobial aromatic derivatives substituted by an (omega amino) alkanol group and compositions containing them SANOFI (FR) 1989-04-11 US claimed