SCHEMBL21780432

SCHEMBL21780432

CCN1CCN(C(=O)c2cc(-c3ccc(C(C)(C)F)cc3)ccc2OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
KCNK3 O14649 3/20 0.42
KCNK9 Q9NPC2 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL21780440 0.92 LMNA (0.48) TLR9TLR8TLR7TDP1LMNA
SCHEMBL21780503 0.89 KCNK3 (0.43) ALDH1A1LMNATSHRKCNK3KCNK9
SCHEMBL21780426 0.88 KMT2A (0.53) ALDH1A1LMNATSHRGAAPOLB
SCHEMBL21780429 0.85 KCNK3 (0.46) ALDH1A1LMNAKCNK3KCNK9POLB
SCHEMBL21780479 0.83 LMNA (0.47) ALDH1A1LMNATSHRKCNK3KCNK9
SCHEMBL21780441 0.82 LMNA (0.47) LMNATSHRKCNK3KCNK9GAA
SCHEMBL21780420 0.79 KMT2A (0.55) ALDH1A1LMNATSHRGAAPOLB
SCHEMBL21780474 0.78 GPR119 (0.51) LMNATSHRPOLBKMT2A
SCHEMBL21780486 0.78 PTGDR2 (0.47) ALDH1A1LMNATSHRKCNK3KCNK9
SCHEMBL21780417 0.76 KCNH2 (0.49) LMNATSHRGAAKMT2AHPGD

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
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed