SCHEMBL8963848

SCHEMBL8963848

O=C(CCCCCC(=O)c1cnc[nH]1)c1cnc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.49
AOC1 P19801 1/20 0.44
HRH3 Q9Y5N1 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRR2 P28476 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10622903 0.91 HRH2 (0.47) TBXAS1HRH3ALDH1A1KMT2AMAPT
SCHEMBL2916977 0.91 HRH2 (0.47) TBXAS1HRH3ALDH1A1KMT2AMAPT
SCHEMBL2913102 0.91 HRH2 (0.47) TBXAS1HRH3ALDH1A1KMT2AMAPT
SCHEMBL4186059 0.91 HRH2 (0.47) TBXAS1HRH3ALDH1A1KMT2AMAPT
SCHEMBL2916182 0.91 HRH2 (0.47) TBXAS1HRH3ALDH1A1KMT2AMAPT
SCHEMBL10625908 0.83 SLC6A5 (0.54) ALDH1A1CYP3A4TSHRKDM4ECYP19A1
SCHEMBL23704534 0.82 AOC1 (0.43) TBXAS1AOC1HRH3NPC1RAB9A
SCHEMBL5269768 0.82 TSHR (0.50) TBXAS1AOC1HRH3NPC1RAB9A
SCHEMBL6665692 0.82 AOC1 (0.43) AOC1HRH3NPC1RAB9ATP53
SCHEMBL10623012 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRKDM4EESR1

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-5525621-A CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS CYTOS PHARMACEUTICALS LLC (US) 1996-06-11 US disclosed