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SCHEMBL21390953

SCHEMBL21390953

CC(C)(C)n1c(CCCCC(=O)C[C@](C)(O)c2ccccc2)nc2ccc(Cl)nc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ TBXA2R P21731 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL21390951 1.00 CCR9 (0.33) CCR9AGTR1AGTR2APEX1TBXA2R
SCHEMBL21390751 0.88 CCR9 (0.32) CCR9HDAC6
SCHEMBL21390915 0.87 CES1 (0.33) APEX1HDAC6
SCHEMBL21390773 0.84 MEN1 (0.35) CCR9AGTR1AGTR2APEX1LMNA
SCHEMBL21390835 0.81 OXER1 (0.32) AGTR1AGTR2ATMSMN1; SMN2HDAC6
SCHEMBL21391133 0.81 CYP11B1 (0.33) LMNASMN1; SMN2
SCHEMBL21391160 0.78 ACSS2 (0.38) AGTR1AGTR2APEX1TBXA2RHDAC6
SCHEMBL21391173 0.76 ACSS2 (0.36) AGTR1AGTR2TBXA2RHDAC6
SCHEMBL20624562 0.76 CCR9 (0.35) CCR9LMNASMN1; SMN2
SCHEMBL19276105 0.76 CCR9 (0.35) CCR9LMNASMN1; SMN2

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