SCHEMBL9988032

SCHEMBL9988032

Cc1cc[c]c(C2CCCc3ccccc32)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GID4 Q8IVV7 1/20 0.41
▸ ADRA2A P08913 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TAS1R3 Q7RTX0 4/20 0.40
▸ TAS1R1 Q7RTX1 4/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.38
▸ IDO1 P14902 2/20 0.37

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
SCHEMBL4280144 0.92 PDPK1 (0.41) ADRA1ATAS1R3TAS1R1TAS1R2IDO1
SCHEMBL9987957 0.83 TAS1R3 (0.47) GID4TAS1R3TAS1R1MAPK1MAPK14
SCHEMBL9988082 0.79 ADRA2A (0.43) GID4ADRA2AADRA1ACYP2D6ADRA1D
SCHEMBL4280697 0.75 TAS1R3 (0.45) ADRA1ATAS1R3TAS1R1TAS1R2MAPK1
SCHEMBL4279564 0.75 ADRA1A (0.38) ADRA1ATAS1R3TAS1R1TAS1R2IDO1
SCHEMBL833179 0.75 ADRA2A (0.42) GID4ADRA2AADRA1ACYP2D6ADRA1D
SCHEMBL10359793 0.73 GID4 (0.51) GID4ADRA2AADRA1ACYP2D6ADRA1D
SCHEMBL4277910 0.71 ADRA1A (0.39) ADRA1ATAS1R3TAS1R1TAS1R2IDO1
SCHEMBL4275619 0.70 PIN1 (0.43) ADRA1ATAS1R3TAS1R1TAS1R2IDO1
SCHEMBL10501682 0.70 ADRA2A (0.50) GID4ADRA2AADRA1ACYP2D6ADRA1D

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 — — EP disclosed
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