SCHEMBL8577438

SCHEMBL8577438

COC(=O)CCc1ccc(N2C(=O)NCC2c2ccc(C3(NC(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
AKT1 P31749 1/20 0.35
EPHX2 P34913 2/20 0.35
QPCT Q16769 5/20 0.31
QPCTL Q9NXS2 1/20 0.31
PPIA P62937 1/20 0.30
NAMPT P43490 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL8417112 0.82 AKT1 (0.38) HRH3AKT1EPHX2QPCTQPCTL
SCHEMBL8417044 0.81 AKT2 (0.41) HRH3AKT1EPHX2QPCTQPCTL
SCHEMBL7284335 0.80 HRH3 (0.39) HRH3AKT1EPHX2PPIADRD2
SCHEMBL8575601 0.79 HRH3 (0.36) HRH3EPHX2QPCTQPCTL
SCHEMBL8574007 0.79 ITGB3 (0.39) HRH3EPHX2QPCTQPCTL
SCHEMBL8576047 0.78 HRH3 (0.38) HRH3EPHX2QPCTQPCTL
SCHEMBL8577440 0.78 HRH3 (0.35) HRH3EPHX2QPCTQPCTL
SCHEMBL8572857 0.77 HRH3 (0.37) HRH3EPHX2QPCTQPCTL
SCHEMBL8571038 0.75 QPCT (0.38) HRH3EPHX2QPCTQPCTL
Hydrochloric Acid SCHEMBL8577042 0.75 HRH3 (0.35) HRH3EPHX2QPCTQPCTL

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed