SCHEMBL11045186

SCHEMBL11045186

Nc1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
CRBN Q96SW2 4/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPK14 Q16539 1/20 0.45
GPR183 P32249 1/20 0.45

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
Hydrochloric Acid SCHEMBL11042950 0.89 GPR183 (0.56) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11040553 0.89 MEN1 (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11044714 0.88 NR3C1 (0.52) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11042518 0.86 MEN1 (0.55) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11060430 0.86 NR3C1 (0.58) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11042554 0.85 NR3C1 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11042174 0.85 SMN1; SMN2 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11045220 0.82 SLC6A4 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11047745 0.82 ALDH1A1 (0.64) MEN1LMNATSHRKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11040863 0.82 NR3C1 (0.68) NR3C1PGRSLC6A4KCNH2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed