SCHEMBL7948957

SCHEMBL7948957

Cn1c(COc2cccc3c2CCCC3)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.46
RXRB P28702 9/20 0.44
RXRG P48443 6/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
S1PR5 Q9H228 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL7956351 0.78 HRH3 (0.50) RXRARXRBRXRGCYP2D6
SCHEMBL7963222 0.72 MEN1 (0.46) HCRTR1HCRTR2
SCHEMBL3372724 0.71 RXRB (0.72) RXRARXRBRXRGMRGPRX4S1PR5
SCHEMBL7959109 0.69 TP53 (0.53) MRGPRX4
SCHEMBL27695081 0.69 RXRA (0.53) RXRARXRBRXRGMRGPRX4S1PR5
SCHEMBL7396044 0.69 RXRA (0.52) RXRARXRBRXRGMRGPRX4ADRA2A
SCHEMBL14367888 0.69 NPC1 (0.48)
SCHEMBL9719997 0.69 RXRA (0.55) RXRARXRBRXRGMRGPRX4ADRA2A
SCHEMBL16397981 0.68 RXRB (0.72) RXRARXRBRXRGMRGPRX4
SCHEMBL13180577 0.68 NPC1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US claimed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed