SCHEMBL21390711

SCHEMBL21390711

O=C(CCCCc1nc2ccc(Cl)nc2n1C1CCC1)Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.32
CYP11B1 P15538 3/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
ENPP2 Q13822 1/20 0.32
PTGDR2 Q9Y5Y4 5/20 0.32
TBXA2R P21731 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MGLL Q99685 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21391124 0.86 HTR3E (0.35) CYP11B2SMN1; SMN2GRM2ALDH1A1
SCHEMBL21391120 0.84 TBXA2R (0.35) PTGDR2TBXA2RSMN1; SMN2GRM2ALDH1A1
SCHEMBL21391002 0.83 CYP11B1 (0.34) CYP11B2CYP11B1AGTR1AGTR2SMN1; SMN2
SCHEMBL21391006 0.81 CYP11B2 (0.36) CYP11B2CYP11B1
SCHEMBL21390858 0.80 CYP11B2 (0.33) CYP11B2CYP11B1
SCHEMBL21390973 0.79 CYP11B2 (0.34) CYP11B2CYP11B1SMN1; SMN2ALDH1A1
SCHEMBL21390934 0.79 CYP11B2 (0.32) CYP11B2CYP11B1
SCHEMBL21390716 0.79 CPT1A (0.37) SMN1; SMN2ALDH1A1
SCHEMBL21390713 0.79 CYP11B2 (0.36) CYP11B2CYP11B1ALDH1A1
SCHEMBL21390950 0.79 CYP11B2 (0.36) CYP11B2CYP11B1

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