SCHEMBL4180949

SCHEMBL4180949

O=C1NCCC1C(c1c(Cl)cc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
PKM P14618 2/20 0.42
PHGDH O43175 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.39
JAK2 O60674 1/20 0.39
ERN1 O75460 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL208725 0.91 PDE5A (0.39) HPGDKMT2AHRH3
SCHEMBL4551238 0.90 PDE5A (0.41) HPGDKMT2A
SCHEMBL210020 0.89 PDE5A (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4189838 0.87 CHRNA7 (0.45) KMT2AHRH3
SCHEMBL4194240 0.86 SPR (0.38) HPGDKMT2A
SCHEMBL4176183 0.85 PDE7B (0.39) KMT2AHRH3
SCHEMBL210631 0.84 MEN1 (0.48) KMT2A
Hydrochloric Acid SCHEMBL4176185 0.84 PDE7B (0.39) KMT2AHRH3
SCHEMBL209307 0.84 PDE4D (0.41) SLC6A3
SCHEMBL209390 0.84 P2RX7 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021337-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed