SCHEMBL7983271

SCHEMBL7983271

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@H]2NCC21C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CHRNA7 P36544 4/20 0.42
HTR3A P46098 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CTSK P43235 1/20 0.41
STAT6 P42226 6/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41

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
SCHEMBL7998609 0.81 DRD2 (0.47) CHRNA7HTR3ASTAT6TAS1R3TAS1R1
SCHEMBL7989861 0.81 DRD2 (0.47) CHRNA7HTR3ASTAT6TAS1R3TAS1R1
SCHEMBL7999347 0.76 STAT6 (0.46) CCR1CHRNA7HTR3AHDAC3HDAC4
SCHEMBL7998294 0.75 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7986165 0.75 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7995042 0.74 NPY5R (0.42) CCR1CTSKSTAT6TAS1R3TAS1R1
SCHEMBL8006940 0.73 CCR1 (0.37) CCR1CTSKSTAT6TAS1R3TAS1R1
SCHEMBL8007246 0.73 STAT6 (0.38) CCR1CTSKSTAT6STAT5ASTAT5B
SCHEMBL7995230 0.73 TRPV4 (0.41) CCR1CTSKSTAT6TAS1R3TAS1R1
SCHEMBL8002427 0.73 SMYD3 (0.47) STAT6

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
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed