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SCHEMBL5486825

SCHEMBL5486825

CC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)NC(c1ccccc1)CO3

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.55
▸ TRPA1 O75762 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 1/20 0.31
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30

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
SCHEMBL5115984 1.00 AR (0.55) ARTRPA1CDK1HTR3EHTR3B
SCHEMBL5114835 0.85 AR (0.53) ARTRPA1CDK1
SCHEMBL5114827 0.85 AR (0.53) ARTRPA1CDK1
SCHEMBL5123257 0.84 AR (0.42) ARTRPA1CDK1HCRTR1HCRTR2
SCHEMBL5121964 0.84 AR (0.42) ARTRPA1CDK1HCRTR1HCRTR2
SCHEMBL5494359 0.84 AR (0.40) ARTRPA1CDK1
SCHEMBL5118678 0.84 AR (0.40) ARTRPA1CDK1
SCHEMBL5122002 0.83 AR (0.55) ARCDK1
SCHEMBL5124748 0.83 AR (0.55) ARCDK1
SCHEMBL5116557 0.82 AR (0.45) AR

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-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 — — US disclosed