SCHEMBL11608279

SCHEMBL11608279

Fc1ccc(OCC2CCN(CCCCl)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD5 P21918 1/20 0.54
HTR2A P28223 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL11238950 0.85 CARM1 (0.66) SIGMAR1
Hydrochloric Acid SCHEMBL7322124 0.85 SIGMAR1 (0.56) SIGMAR1
SCHEMBL5568520 0.84 SIGMAR1 (0.58) SIGMAR1
SCHEMBL7294981 0.82 SIGMAR1 (0.77) SIGMAR1
SCHEMBL7362469 0.81 SIGMAR1 (0.71) SIGMAR1
SCHEMBL13450806 0.80 KCNH2 (0.60)
Hydrochloric Acid SCHEMBL7356651 0.79 SIGMAR1 (0.69) SIGMAR1
SCHEMBL466899 0.79 SIGMAR1 (0.68) SIGMAR1
SCHEMBL9372865 0.79 SIGMAR1 (0.49) SIGMAR1
Hydrochloric Acid SCHEMBL7295872 0.78 TMEM97 (0.69) SIGMAR1HTR1ADRD2DRD1DRD5

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-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 US disclosed