SCHEMBL21390957

SCHEMBL21390957

CC1(n2c(CCCCC(=O)C[C@](C)(O)c3ccccc3)nc3ccc(C(F)(F)F)cc32)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
ACSS2 Q9NR19 3/20 0.33
S1PR1 P21453 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
PPARG P37231 2/20 0.33
APEX1 P27695 1/20 0.31
HTR7 P34969 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL21390820 0.88 ACSS2 (0.33) ACSS2PPARGAPEX1HDAC3HDAC4
SCHEMBL21391043 0.87 ACSS2 (0.41) ACSS2APEX1
SCHEMBL21391179 0.85 ACSS2 (0.33) ACSS2PPARGHDAC3HDAC4HDAC1
SCHEMBL21390828 0.85
SCHEMBL21390797 0.83 PTGDR2 (0.31)
SCHEMBL21390799 0.83 PTGDR2 (0.31)
SCHEMBL21391162 0.83 ACSS2 (0.31) ACSS2
SCHEMBL21390801 0.82 PTGDR2 (0.36) ACSS2HCRTR1HCRTR2
SCHEMBL18791934 0.80 CSNK1D (0.39) ACSS2S1PR1OPRM1OPRD1OPRK1
SCHEMBL18791666 0.80 CSNK1D (0.39) ACSS2S1PR1OPRM1OPRD1OPRK1

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed