SCHEMBL28048803

SCHEMBL28048803

C[C@H]1CN(C(=O)N2CCN[C@@H](C)C2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.49
HRH4 Q9H3N8 1/20 0.45
CA2 P00918 2/20 0.45
CHKA P35790 1/20 0.45
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
REN P00797 1/20 0.36
PLD1 Q13393 2/20 0.35
PLD2 O14939 1/20 0.35
HSD11B1 P28845 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL28120270 1.00 BIRC2 (0.49) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL27957087 1.00 BIRC2 (0.49) BIRC2HRH4CA2CHKACHRNB2
Hydrochloric Acid SCHEMBL27858891 0.98 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
Hydrochloric Acid SCHEMBL28060591 0.98 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
Hydrochloric Acid SCHEMBL27858885 0.98 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL190023 0.84 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL1181669 0.84 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL190024 0.84 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL2418463 0.84 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2
SCHEMBL2422071 0.84 BIRC2 (0.47) BIRC2HRH4CA2CHKACHRNB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458985-B 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use 艾伯维公司 2019-05-03 CN claimed
CN-106458985-A 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use 艾伯维公司 2017-02-22 CN claimed
CN-106458985-B 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use 艾伯维公司 2019-05-03 CN disclosed
CN-106458985-A 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use 艾伯维公司 2017-02-22 CN disclosed
CN-105377851-A BET bromodomain inhibitors and therapeutic methods using these inhibitors UNIV MICHIGAN REGENTS 2016-03-02 CN disclosed