SCHEMBL21780486

SCHEMBL21780486

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCN(Cc2ncccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
SLC6A7 Q99884 2/20 0.47
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
TACR3 P29371 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL21780429 0.93 KCNK3 (0.46) PTGDR2KCNK3KCNK9LMNAKDM4E
SCHEMBL21780440 0.85 LMNA (0.48) KCNK3KCNK9TACR3LMNATSHR
SCHEMBL21780479 0.84 LMNA (0.47) KCNK3KCNK9TACR3LMNATSHR
SCHEMBL21780441 0.83 LMNA (0.47) KCNK3KCNK9TACR3LMNATSHR
SCHEMBL21780420 0.81 KMT2A (0.55) TACR3LMNATSHRALDH1A1MEN1
SCHEMBL21780417 0.78 KCNH2 (0.49) TACR3LMNATSHRMEN1KMT2A
SCHEMBL21780474 0.78 GPR119 (0.51) TACR3LMNATSHRMEN1KMT2A
SCHEMBL21780432 0.78 TLR9 (0.43) KCNK3KCNK9LMNATSHRKDM4E
SCHEMBL21780503 0.76 KCNK3 (0.43) KCNK3KCNK9LMNATSHRALDH1A1
SCHEMBL21780426 0.74 KMT2A (0.53) LMNATSHRALDH1A1MEN1KMT2A

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