SCHEMBL15216508

SCHEMBL15216508

CN1CCN(C(=O)c2ccc(-c3cc(Cl)c(C[C@@H]4CCN(C5CCC(O)CC5)C4=O)c(Cl)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.44
BMPR1A P36894 2/20 0.44
ACVRL1 P37023 2/20 0.44
ACVR1 Q04771 2/20 0.44
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE7B Q9NP56 1/20 0.43
POLB P06746 2/20 0.42
CHKA P35790 1/20 0.40
MET P08581 1/20 0.39
KMT2A Q03164 3/20 0.39
WDR5 P61964 1/20 0.38

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
SCHEMBL209858 0.92 HRH3 (0.44) KMT2AHPGDALDH1A1HRH3L3MBTL1
SCHEMBL209856 0.92 HRH3 (0.44) KMT2AHPGDALDH1A1HRH3L3MBTL1
SCHEMBL209857 0.92 HRH3 (0.44) KMT2AHPGDALDH1A1HRH3L3MBTL1
SCHEMBL211080 0.92 PDE5A (0.48) BMPR1BBMPR1AACVRL1ACVR1PDE5A
Hydrochloric Acid SCHEMBL207291 0.91 PDE5A (0.47) BMPR1BBMPR1AACVRL1ACVR1PDE5A
SCHEMBL209739 0.90 BMPR1B (0.35) BMPR1BBMPR1AACVRL1ACVR1PDE5A
SCHEMBL209350 0.90 BMPR1B (0.35) BMPR1BBMPR1AACVRL1ACVR1PDE5A
SCHEMBL209348 0.90 BMPR1B (0.35) BMPR1BBMPR1AACVRL1ACVR1PDE5A
SCHEMBL209349 0.90 BMPR1B (0.35) BMPR1BBMPR1AACVRL1ACVR1PDE5A
SCHEMBL2722195 0.90 PDE5A (0.35) BMPR1BBMPR1AACVRL1ACVR1PDE5A

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-2016047-B1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-08-28 EP disclosed